Thanks Tsjerk, Florian, However I need the .gro file for the reverse transformation and I cannot simply obtain it through pdb2gmx as it won't recognize the atoms
Fatal error: Atom BB in residue ALA 1 was not found in rtp entry ALA with 8 atoms while sorting atoms. . Any help with that? Thanks a lot 2012/2/20 Dommert Florian <domm...@icp.uni-stuttgart.de>: > On Mon, 2012-02-20 at 16:05 +0100, francesca vitalini wrote: >> Just one last question Tsjerk, I was trying to load the cg.gro file >> obtained with martinize in vmd and the program says it is unable to >> load the molecule. the result of the martinize script looks like: >> >> MODEL 1 >> TITLE Protein in water >> CRYST1 29.094 29.094 29.094 90.00 90.00 90.00 P 1 1 >> ATOM 1 BB ALA 1 15.063 17.501 13.232 1.00 0.00 >> ATOM 2 BB GLU 2 14.568 13.732 14.199 1.00 0.00 >> ATOM 3 SC1 GLU 2 17.373 14.208 15.223 1.00 0.00 >> TER >> ENDMDL >> > > This looks like a PDB file. If you load cg.gro into VMD it will > recognize it as GRO file, but you provide the wrong format. Rename > cg.gro to cg.pdb and it should be loaded successfully into VMD. > > /Flo > >> Does it sound right to you? >> Thanks >> >> >> >> 2012/2/20 francesca vitalini <francesca.vitalin...@gmail.com>: >> > Thank you so much.. Now it is working. I was trying to do it without >> > specifying the secondary structure as I'm having problems with the >> > do_dssp command. It is not working basically and I have to use pdb2gmx >> > to convert into pdb then go to the dssp webpage and create the dssp >> > file from there through the pdb. Do you know a fastest way to make it >> > work? Thanks >> > >> > However, my Martini account never worked, don't know why, so I cannot >> > post it directly. >> > >> > 2012/2/20 Tsjerk Wassenaar <tsje...@gmail.com>: >> >> Hey Francesca, >> >> >> >> Now there's a small bug in the program. Sorry about it. We'll put the >> >> fixed version on in a bit. The problem arises because you don't >> >> specify the secondary structure and pymol is not yet available for >> >> doing so. The workaround is to explicitly set the secondary structure >> >> to loop, by adding "-ss LLL" on the command line. Thanks for pointing >> >> that out. >> >> >> >> By the way, you might want to post these issues on the Martini forum: >> >> http://md.chem.rug.nl/cgmartini/index.php/user-platform/forum >> >> It's not exactly Gromacs... >> >> >> >> Cheers, >> >> >> >> Tsjerk >> >> >> >> On Mon, Feb 20, 2012 at 2:34 PM, francesca vitalini >> >> <francesca.vitalin...@gmail.com> wrote: >> >>> Done while waiting for your e-mail. the error message now says >> >>> >> >>> INFO Chain termini will be charged >> >>> INFO Residues at chain brakes will not be charged >> >>> INFO Local elastic bonds will be used for extended regions. >> >>> INFO Position restraints will be generated. >> >>> WARNING Position restraints are only enabled if -DPOSRES is set in >> >>> the MDP file >> >>> INFO Read input structure from file. >> >>> INFO Input structure is a PDB file. >> >>> INFO Found 1 chains: >> >>> INFO 1: (Protein), 25 atoms in 3 residues. >> >>> INFO Total size of the system: 3 residues. >> >>> Traceback (most recent call last): >> >>> File "./martinize-1.0.py", line 2415, in <module> >> >>> elif options["-pymol"]: >> >>> KeyError: '-pymol' >> >>> >> >>> and the pdb looks like >> >>> >> >>> TITLE Protein in water >> >>> REMARK THIS IS A SIMULATION BOX >> >>> CRYST1 29.094 29.094 29.094 90.00 90.00 90.00 P 1 1 >> >>> MODEL 1 >> >>> ATOM 1 N ALA 1 15.650 18.630 12.470 1.00 0.00 >> >>> ATOM 2 H1 ALA 1 16.142 19.465 12.716 1.00 0.00 >> >>> ATOM 3 H2 ALA 1 16.062 18.229 11.652 1.00 0.00 >> >>> ATOM 4 H3 ALA 1 14.692 18.849 12.287 1.00 0.00 >> >>> ATOM 5 CA ALA 1 15.730 17.670 13.580 1.00 0.00 >> >>> ATOM 6 CB ALA 1 15.240 18.220 14.910 1.00 0.00 >> >>> ATOM 7 C ALA 1 14.970 16.400 13.180 1.00 0.00 >> >>> ATOM 8 O ALA 1 13.880 16.420 12.610 1.00 0.00 >> >>> ATOM 9 N GLU 2 15.500 15.310 13.740 1.00 0.00 >> >>> ATOM 10 H GLU 2 16.295 15.467 14.326 1.00 0.00 >> >>> ATOM 11 CA GLU 2 15.070 13.910 13.610 1.00 0.00 >> >>> ATOM 12 CB GLU 2 16.230 12.950 13.880 1.00 0.00 >> >>> ATOM 13 CG GLU 2 16.930 13.120 15.230 1.00 0.00 >> >>> ATOM 14 CD GLU 2 17.660 14.430 15.540 1.00 0.00 >> >>> ATOM 15 OE1 GLU 2 18.650 14.820 14.880 1.00 0.00 >> >>> ATOM 16 OE2 GLU 2 17.070 15.190 16.330 1.00 0.00 >> >>> ATOM 17 C GLU 2 13.910 13.480 14.500 1.00 0.00 >> >>> ATOM 18 O GLU 2 13.760 12.300 14.810 1.00 0.00 >> >>> ATOM 19 N GLU 3 13.000 14.410 14.790 1.00 0.00 >> >>> ATOM 20 H GLU 3 13.192 15.329 14.446 1.00 0.00 >> >>> ATOM 21 CA GLU 3 11.750 14.260 15.550 1.00 0.00 >> >>> ATOM 22 CB GLU 3 11.920 13.690 16.960 1.00 0.00 >> >>> ATOM 23 C GLU 3 11.190 15.670 15.730 1.00 0.00 >> >>> ATOM 24 O1 GLU 3 11.907 16.693 15.192 1.00 0.00 >> >>> ATOM 25 O2 GLU 3 10.020 15.787 16.413 1.00 0.00 >> >>> TER >> >>> >> >>> >> >>> can you please explain which the problem is to me? >> >>> >> >>> thanks >> >>> >> >>> >> >>> >> >>> 2012/2/20 Tsjerk Wassenaar <tsje...@gmail.com>: >> >>>> Hi Francesca, >> >>>> >> >>>> Given the error, it seems there's still a mismatch between the number >> >>>> of atoms and the number indicated. Try converting your structure to >> >>>> PDB and use that for coarsegraining. >> >>>> >> >>> >> >>>> Cheers, >> >>>> >> >>>> Tsjerk >> >>>> >> >>>> On Mon, Feb 20, 2012 at 2:08 PM, francesca vitalini >> >>>> <francesca.vitalin...@gmail.com> wrote: >> >>>>> I've changed that but it is still complaining... >> >>>>> >> >>>>> INFO Chain termini will be charged >> >>>>> INFO Residues at chain brakes will not be charged >> >>>>> INFO Local elastic bonds will be used for extended regions. >> >>>>> INFO Position restraints will be generated. >> >>>>> WARNING Position restraints are only enabled if -DPOSRES is set in >> >>>>> the MDP file >> >>>>> INFO Read input structure from file. >> >>>>> INFO Input structure is a GRO file. Chains will be labeled >> >>>>> consecutively. >> >>>>> Traceback (most recent call last): >> >>>>> File "./martinize-1.0.py", line 2306, in <module> >> >>>>> for title,atoms,box in frameIterator(inStream): >> >>>>> File "./martinize-1.0.py", line 1183, in groFrameIterator >> >>>>> atoms = [groAtom(streamIterator.next()) for i in range(natoms)] >> >>>>> File "./martinize-1.0.py", line 1170, in groAtom >> >>>>> return (S(a[10:15]), S(a[5:10]), I(a[:5]), " ", >> >>>>> 10*F(a[20:28]),10*F(a[28:36]),10*F(a[36:44])) >> >>>>> ValueError: invalid literal for int() with base 10: '2.' >> >>>>> >> >>>>> >> >>>>> >> >>>>> 2012/2/20 Tsjerk Wassenaar <tsje...@gmail.com>: >> >>>>>> Hi Francesca, >> >>>>>> >> >>>>>> The problem is that the second line of your gro file indicates there >> >>>>>> are 2410 atoms in the file, while there are only 25. Did you manually >> >>>>>> remove water? In that case you have to update the number of atoms in >> >>>>>> the second line. The error message should be more explanatory though. >> >>>>>> >> >>>>>> Cheers, >> >>>>>> >> >>>>>> Tsjerk >> >>>>>> >> >>>>>> On Mon, Feb 20, 2012 at 1:57 PM, francesca vitalini >> >>>>>> <francesca.vitalin...@gmail.com> wrote: >> >>>>>>> I was using the one available from the tutorial but now I have >> >>>>>>> downloaded the new one and it gives me still an error message like >> >>>>>>> >> >>>>>>> INFO Chain termini will be charged >> >>>>>>> INFO Residues at chain brakes will not be charged >> >>>>>>> INFO Local elastic bonds will be used for extended regions. >> >>>>>>> INFO Position restraints will be generated. >> >>>>>>> WARNING Position restraints are only enabled if -DPOSRES is set in >> >>>>>>> the MDP file >> >>>>>>> INFO Read input structure from file. >> >>>>>>> INFO Input structure is a GRO file. Chains will be labeled >> >>>>>>> consecutively. >> >>>>>>> Traceback (most recent call last): >> >>>>>>> File "./martinize-1.0.py", line 2306, in <module> >> >>>>>>> for title,atoms,box in frameIterator(inStream): >> >>>>>>> File "./martinize-1.0.py", line 1183, in groFrameIterator >> >>>>>>> atoms = [groAtom(streamIterator.next()) for i in range(natoms)] >> >>>>>>> File "./martinize-1.0.py", line 1170, in groAtom >> >>>>>>> return (S(a[10:15]), S(a[5:10]), I(a[:5]), " ", >> >>>>>>> 10*F(a[20:28]),10*F(a[28:36]),10*F(a[36:44])) >> >>>>>>> ValueError: invalid literal for int() with base 10: '2.' >> >>>>>>> >> >>>>>>> I have used the command line ./martinize-1.0.py -f npt_strip_wat.gro >> >>>>>>> -o frag_npt_cg_pdb.top -x frag_npt_cg_pdb.gro -v -p backbone >> >>>>>>> >> >>>>>>> were my input file is very simply >> >>>>>>> >> >>>>>>> Protein in water >> >>>>>>> 2410 >> >>>>>>> 1ALA N 1 1.497 1.862 1.290 0.1206 -0.3069 -0.2102 >> >>>>>>> 1ALA H1 2 1.409 1.866 1.338 0.8590 -0.1748 1.1978 >> >>>>>>> 1ALA H2 3 1.547 1.948 1.296 2.0372 -1.4201 0.8359 >> >>>>>>> 1ALA H3 4 1.483 1.837 1.194 1.8924 -0.0993 -0.5621 >> >>>>>>> 1ALA CA 5 1.585 1.753 1.335 -0.1231 -0.2165 0.4955 >> >>>>>>> 1ALA CB 6 1.625 1.781 1.480 0.3554 -0.5405 0.4275 >> >>>>>>> 1ALA C 7 1.517 1.617 1.323 0.1234 -0.2807 -0.1917 >> >>>>>>> 1ALA O 8 1.407 1.624 1.268 -0.0033 0.4302 0.1378 >> >>>>>>> 2GLU N 9 1.566 1.515 1.393 -0.2655 -0.2542 0.1191 >> >>>>>>> 2GLU H 10 1.655 1.536 1.434 0.1561 0.1079 -0.9482 >> >>>>>>> 2GLU CA 11 1.501 1.384 1.402 0.3096 -0.5394 0.1823 >> >>>>>>> 2GLU CB 12 1.601 1.272 1.427 0.7527 -0.2033 -0.0775 >> >>>>>>> 2GLU CG 13 1.694 1.280 1.548 -0.0279 0.1789 0.5017 >> >>>>>>> 2GLU CD 14 1.779 1.405 1.571 0.4664 -0.1532 0.4921 >> >>>>>>> 2GLU OE1 15 1.882 1.412 1.500 0.2904 -0.0189 0.2469 >> >>>>>>> 2GLU OE2 16 1.740 1.489 1.654 0.2746 0.1001 0.1509 >> >>>>>>> 2GLU C 17 1.378 1.355 1.489 0.5085 -0.1385 0.5964 >> >>>>>>> 2GLU O 18 1.352 1.237 1.510 0.3837 -0.1792 0.2200 >> >>>>>>> 3GLU N 19 1.307 1.458 1.535 -0.1887 -0.4392 0.2009 >> >>>>>>> 3GLU H 20 1.315 1.547 1.489 -1.1961 0.1298 1.0835 >> >>>>>>> 3GLU CA 21 1.180 1.436 1.604 -0.3118 -0.2722 0.0307 >> >>>>>>> 3GLU CB 22 1.192 1.426 1.757 -0.3397 0.1329 0.0602 >> >>>>>>> 3GLU C 23 1.066 1.533 1.572 -0.3117 -0.4554 -0.5274 >> >>>>>>> 3GLU O1 24 1.072 1.606 1.471 0.0488 0.2651 0.0047 >> >>>>>>> 3GLU O2 25 0.965 1.542 1.646 -0.1745 -0.2606 -0.3621 >> >>>>>>> 2.91477 2.91477 2.91477 >> >>>>>>> >> >>>>>>> Can you help me on that? >> >>>>>>> Thanks >> >>>>>>> >> >>>>>>> 2012/2/20 Tsjerk Wassenaar <tsje...@gmail.com>: >> >>>>>>>> Hi Francesca, >> >>>>>>>> >> >>>>>>>> Is this the latest version >> >>>>>>>> (http://md.chem.rug.nl/cgmartini/index.php/downloads/tools/204-martinize)? >> >>>>>>>> If it is, please send me the input file and I'll fix the bug. Note >> >>>>>>>> that the previous version that was available online was one used in >> >>>>>>>> a >> >>>>>>>> workshop, while the script was still in beta. >> >>>>>>>> >> >>>>>>>> Cheers, >> >>>>>>>> >> >>>>>>>> Tsjerk >> >>>>>>>> >> >>>>>>>> >> >>>>>>>> On Mon, Feb 20, 2012 at 10:43 AM, francesca vitalini >> >>>>>>>> <francesca.vitalin...@gmail.com> wrote: >> >>>>>>>>> Hi all, >> >>>>>>>>> I'm trying to coarsegrain my structure using the script >> >>>>>>>>> martinize.py >> >>>>>>>>> and using my gro file as inmput and the dssp file with the second >> >>>>>>>>> structure downloaded from http://swift.cmbi.ru.nl/gv/dssp using the >> >>>>>>>>> pdb structure as input, I get the following error message that I >> >>>>>>>>> really don't understand. >> >>>>>>>>> >> >>>>>>>>> INFO Chain termini will be charged >> >>>>>>>>> INFO Residues at chain brakes will not be charged >> >>>>>>>>> INFO Local elastic bonds will be used for extended regions. >> >>>>>>>>> INFO Position restraints will be generated. >> >>>>>>>>> WARNING Position restraints are only enabled if -DPOSRES is set >> >>>>>>>>> in >> >>>>>>>>> the MDP file >> >>>>>>>>> INFO Read input structure from file. >> >>>>>>>>> INFO Input structure is a GRO file. Chains will be labeled >> >>>>>>>>> consecutively. >> >>>>>>>>> Traceback (most recent call last): >> >>>>>>>>> File "./martinize.py", line 2037, in <module> >> >>>>>>>>> for title,atoms,box in frameIterator(inStream): >> >>>>>>>>> File "./martinize.py", line 1303, in groFrameIterator >> >>>>>>>>> atoms = [groAtom(streamIterator.next()) for i in >> >>>>>>>>> range(natoms)] >> >>>>>>>>> File "./martinize.py", line 1290, in groAtom >> >>>>>>>>> return (S(a[10:15]), S(a[5:10]), I(a[:5]), " ", >> >>>>>>>>> 10*F(a[20:28]),10*F(a[28:36]),10*F(a[36:44])) >> >>>>>>>>> ValueError: invalid literal for int() with base 10: '2.' >> >>>>>>>>> >> >>>>>>>>> Can anyone help me on that? >> >>>>>>>>> Thanks >> >>>>>>>>> >> >>>>>>>>> >> >>>>>>>>> >> >>>>>>>>> -- >> >>>>>>>>> Francesca >> >>>>>>>>> -- >> >>>>>>>>> gmx-users mailing list gmx-users@gromacs.org >> >>>>>>>>> http://lists.gromacs.org/mailman/listinfo/gmx-users >> >>>>>>>>> Please search the archive at >> >>>>>>>>> http://www.gromacs.org/Support/Mailing_Lists/Search before posting! >> >>>>>>>>> Please don't post (un)subscribe requests to the list. Use the >> >>>>>>>>> www interface or send it to gmx-users-requ...@gromacs.org. >> >>>>>>>>> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >> >>>>>>>> >> >>>>>>>> >> >>>>>>>> >> >>>>>>>> -- >> >>>>>>>> Tsjerk A. Wassenaar, Ph.D. >> >>>>>>>> >> >>>>>>>> post-doctoral researcher >> >>>>>>>> Molecular Dynamics Group >> >>>>>>>> * Groningen Institute for Biomolecular Research and Biotechnology >> >>>>>>>> * Zernike Institute for Advanced Materials >> >>>>>>>> University of Groningen >> >>>>>>>> The Netherlands >> >>>>>>>> -- >> >>>>>>>> gmx-users mailing list gmx-users@gromacs.org >> >>>>>>>> http://lists.gromacs.org/mailman/listinfo/gmx-users >> >>>>>>>> Please search the archive at >> >>>>>>>> http://www.gromacs.org/Support/Mailing_Lists/Search before posting! >> >>>>>>>> Please don't post (un)subscribe requests to the list. Use the >> >>>>>>>> www interface or send it to gmx-users-requ...@gromacs.org. >> >>>>>>>> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >> >>>>>>> >> >>>>>>> >> >>>>>>> >> >>>>>>> -- >> >>>>>>> Francesca Vitalini >> >>>>>>> >> >>>>>>> PhD student at Computational Molecular Biology Group, >> >>>>>>> Department of Mathematics and Informatics, FU-Berlin >> >>>>>>> Arnimallee 6 14195 Berlin >> >>>>>>> >> >>>>>>> vital...@zedat.fu-berlin.de >> >>>>>>> francesca.vital...@fu-berlin.de >> >>>>>>> >> >>>>>>> +49 3083875776 >> >>>>>>> +49 3083875412 >> >>>>>>> -- >> >>>>>>> gmx-users mailing list gmx-users@gromacs.org >> >>>>>>> http://lists.gromacs.org/mailman/listinfo/gmx-users >> >>>>>>> Please search the archive at >> >>>>>>> http://www.gromacs.org/Support/Mailing_Lists/Search before posting! >> >>>>>>> Please don't post (un)subscribe requests to the list. Use the >> >>>>>>> www interface or send it to gmx-users-requ...@gromacs.org. >> >>>>>>> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >> >>>>>> >> >>>>>> >> >>>>>> >> >>>>>> -- >> >>>>>> Tsjerk A. Wassenaar, Ph.D. >> >>>>>> >> >>>>>> post-doctoral researcher >> >>>>>> Molecular Dynamics Group >> >>>>>> * Groningen Institute for Biomolecular Research and Biotechnology >> >>>>>> * Zernike Institute for Advanced Materials >> >>>>>> University of Groningen >> >>>>>> The Netherlands >> >>>>>> -- >> >>>>>> gmx-users mailing list gmx-users@gromacs.org >> >>>>>> http://lists.gromacs.org/mailman/listinfo/gmx-users >> >>>>>> Please search the archive at >> >>>>>> http://www.gromacs.org/Support/Mailing_Lists/Search before posting! >> >>>>>> Please don't post (un)subscribe requests to the list. Use the >> >>>>>> www interface or send it to gmx-users-requ...@gromacs.org. >> >>>>>> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >> >>>>> >> >>>>> >> >>>>> >> >>>>> -- >> >>>>> Francesca Vitalini >> >>>>> >> >>>>> PhD student at Computational Molecular Biology Group, >> >>>>> Department of Mathematics and Informatics, FU-Berlin >> >>>>> Arnimallee 6 14195 Berlin >> >>>>> >> >>>>> vital...@zedat.fu-berlin.de >> >>>>> francesca.vital...@fu-berlin.de >> >>>>> >> >>>>> +49 3083875776 >> >>>>> +49 3083875412 >> >>>>> -- >> >>>>> gmx-users mailing list gmx-users@gromacs.org >> >>>>> http://lists.gromacs.org/mailman/listinfo/gmx-users >> >>>>> Please search the archive at >> >>>>> http://www.gromacs.org/Support/Mailing_Lists/Search before posting! >> >>>>> Please don't post (un)subscribe requests to the list. Use the >> >>>>> www interface or send it to gmx-users-requ...@gromacs.org. >> >>>>> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >> >>>> >> >>>> >> >>>> >> >>>> -- >> >>>> Tsjerk A. Wassenaar, Ph.D. >> >>>> >> >>>> post-doctoral researcher >> >>>> Molecular Dynamics Group >> >>>> * Groningen Institute for Biomolecular Research and Biotechnology >> >>>> * Zernike Institute for Advanced Materials >> >>>> University of Groningen >> >>>> The Netherlands >> >>>> -- >> >>>> gmx-users mailing list gmx-users@gromacs.org >> >>>> http://lists.gromacs.org/mailman/listinfo/gmx-users >> >>>> Please search the archive at >> >>>> http://www.gromacs.org/Support/Mailing_Lists/Search before posting! >> >>>> Please don't post (un)subscribe requests to the list. Use the >> >>>> www interface or send it to gmx-users-requ...@gromacs.org. >> >>>> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >> >>> >> >>> >> >>> >> >>> -- >> >>> Francesca Vitalini >> >>> >> >>> PhD student at Computational Molecular Biology Group, >> >>> Department of Mathematics and Informatics, FU-Berlin >> >>> Arnimallee 6 14195 Berlin >> >>> >> >>> vital...@zedat.fu-berlin.de >> >>> francesca.vital...@fu-berlin.de >> >>> >> >>> +49 3083875776 >> >>> +49 3083875412 >> >>> -- >> >>> gmx-users mailing list gmx-users@gromacs.org >> >>> http://lists.gromacs.org/mailman/listinfo/gmx-users >> >>> Please search the archive at >> >>> http://www.gromacs.org/Support/Mailing_Lists/Search before posting! >> >>> Please don't post (un)subscribe requests to the list. Use the >> >>> www interface or send it to gmx-users-requ...@gromacs.org. >> >>> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >> >> >> >> >> >> >> >> -- >> >> Tsjerk A. Wassenaar, Ph.D. >> >> >> >> post-doctoral researcher >> >> Molecular Dynamics Group >> >> * Groningen Institute for Biomolecular Research and Biotechnology >> >> * Zernike Institute for Advanced Materials >> >> University of Groningen >> >> The Netherlands >> >> -- >> >> gmx-users mailing list gmx-users@gromacs.org >> >> http://lists.gromacs.org/mailman/listinfo/gmx-users >> >> Please search the archive at >> >> http://www.gromacs.org/Support/Mailing_Lists/Search before posting! >> >> Please don't post (un)subscribe requests to the list. Use the >> >> www interface or send it to gmx-users-requ...@gromacs.org. >> >> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >> > >> > >> > >> > -- >> > Francesca Vitalini >> > >> > PhD student at Computational Molecular Biology Group, >> > Department of Mathematics and Informatics, FU-Berlin >> > Arnimallee 6 14195 Berlin >> > >> > vital...@zedat.fu-berlin.de >> > francesca.vital...@fu-berlin.de >> > >> > +49 3083875776 >> > +49 3083875412 >> >> >> >> -- >> Francesca Vitalini >> >> PhD student at Computational Molecular Biology Group, >> Department of Mathematics and Informatics, FU-Berlin >> Arnimallee 6 14195 Berlin >> >> vital...@zedat.fu-berlin.de >> francesca.vital...@fu-berlin.de >> >> +49 3083875776 >> +49 3083875412 > > -- > Florian Dommert > Dipl. - Phys. > > Institute for Computational Physics > University Stuttgart > > Pfaffenwaldring 27 > 70569 Stuttgart > > EMail: domm...@icp.uni-stuttgart.de > Homepage: http://www.icp.uni-stuttgart.de/~icp/Florian_Dommert > > Tel.: +49 - (0)711 - 68563613 > Fax.: +49 - (0)711 - 68563658 > > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- Francesca Vitalini PhD student at Computational Molecular Biology Group, Department of Mathematics and Informatics, FU-Berlin Arnimallee 6 14195 Berlin vital...@zedat.fu-berlin.de francesca.vital...@fu-berlin.de +49 3083875776 +49 3083875412 -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
