[gmx-users] how to save information even after stopping calculation

Dear gromacs users I am running a molecular dynamics calculation, all is fine but the time of calculation is big, I would like to know if I can stop the calculation without lose the information generated until that point. thanks in advance. Miguel Quiliano.

Re: [gmx-users] how to save information even after stopping calculation

Hi, you can send mdrun the TERM or the USR1 signals which will stop the simulation without data loss. See also the Gromacs manual on page 281 (mdrun). On Unix/Linux this would be kill -USR1 mdrun-pid Carsten On Sep 22, 2009, at 6:39 PM, Miguel Quiliano Meza wrote: Dear gromacs users I am