> 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
