Thanks Mark, I will do the analysis in 4.5.4. Hope while doing the micelle clustering I will not get into a infinite loop as in 4.0.7. If I understand correctly, While using trjconv -pbc cluster, I should use -e 0.002 or the frames (-dump option) in the xtc file (generated after the micelles are formed)
Sulatha 2011/7/1 Mark Abraham <mark.abra...@anu.edu.au> > On 1/07/2011 3:35 PM, sulatha M. S wrote: > >> Hi Tsjerk, >> >> I installed gromacs myself. I put the modified gmx_trjconv.c code in the >> /src/tools subdirectory where the source code is located and tried the >> command >> make trjconv >> But it gives me a series of error messages, as given below. >> > > They're all mismatches because of changes between 4.0.7 and 4.5.4 > > > My gromacs version is 4.0.7. I would like to continue in this version till >> I finish the set of runs which I have been doing before moving into 4.5.4 >> version. or else can I do the analysis alone in gromacs 4.5.4 with the xtc >> files generated from 4.0.7 version? >> > > Do that. The file formats are unchanged. > > Mark > > > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/**mailman/listinfo/gmx-users<http://lists.gromacs.org/mailman/listinfo/gmx-users> > Please search the archive at http://www.gromacs.org/** > Support/Mailing_Lists/Search<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<http://www.gromacs.org/Support/Mailing_Lists> >
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