Re: [gmx-users] npt dynamics generate a lot of pdb files

By modifying nstlist, you're very likely fixing a symptom, rather than fixing the problem. Mark On Thu, May 8, 2014 at 6:21 PM, Natalia Alveal F. nalv...@bio.puc.clwrote: Dear Gromacs users, Reducing the nstlist value works for me. Thanks a lot for yours suggestions. 2014-05-06 22:47

[gmx-users] npt dynamics generate a lot of pdb files

Dear Gromacs users, I am run a dynamics NPT, and this suddenly stops and generates multiples pdb files such as: step3206c_n67.pdb step3206c_n99.pdb this error means? I strongly need your help Thanks, Natalia -- Natalia Alveal Fuentealba Ingeniera en Bioinformática Laboratory of Membranes

Re: [gmx-users] npt dynamics generate a lot of pdb files

On 5/6/14, 4:32 PM, Natalia Alveal F. wrote: Dear Gromacs users, I am run a dynamics NPT, and this suddenly stops and generates multiples pdb files such as: step3206c_n67.pdb step3206c_n99.pdb this error means? It crashed. Those are .pdb files that mdrun dumps out as it aborts that you

Re: [gmx-users] npt dynamics generate a lot of pdb files

...@gromacs.org Subject: [gmx-users] npt dynamics generate a lot of pdb files Dear Gromacs users, I am run a dynamics NPT, and this suddenly stops and generates multiples pdb files such as: step3206c_n67.pdb step3206c_n99.pdb this error means? I strongly need your help Thanks, Natalia -- Natalia Alveal