But you have conf.gro
On Fri, Apr 5, 2013 at 10:29 PM, Elisabeth <katesed...@gmail.com> wrote: > Well I am not getting the trajectory. Simulation crashes before any step > is calculated :( > > > On 5 April 2013 11:20, Dr. Vitaly Chaban <vvcha...@gmail.com> wrote: > >> >> >>> My problem is NVT crashes at step 0 and no energies or any other output >>> file is written... >>> >>> >>> >> What about visualizing your interface? >> >> >> >> >> >> >> >> >>> On 5 April 2013 10:25, Dr. Vitaly Chaban <vvcha...@gmail.com> wrote: >>> >>>> > Hi all, >>>> > >>>> > I have problem ruunning NVT with Z direction extended to get surface >>>> > tension of a polymer packed in a cell. I tried the same procedure for >>>> an >>>> > alkane and NVT works well however for the polymer the run crashes at >>>> the >>>> > very first step.. >>>> > >>>> > Doe anyone have clue what wrong could be? Many thanks. >>>> > >>>> > starting mdrun 'Polymer' >>>> > 10000000 steps, 10000.0 ps. >>>> > step 0 >>>> > [node6:14338] *** Process received signal *** >>>> > >>>> >>>> >>>> >>>> Hmmm. Is it not easier to get surface tension from bulk simulation?? >>>> >>>> On your error, I believe you broke some bond when extending your box in >>>> Z >>>> direction. Check energies at step 0 to be completely sure. >>>> >>>> Dr. Vitaly Chaban >>>> -- >>>> 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 >>>> >>> >>> >> > -- 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
