> 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
