Re: [gmx-users] Restarting a simulation after replacing an empty md.trr file

2013-11-12 Thread Justin Lemkul
On 11/12/13 1:15 AM, arun kumar wrote: Dear Gromacs users, I am running a 50ns simulation of a protein having nearly 700 residues on 60 threads (Gromacs 4.6.3). At one point i got a disk space problem, so i have deleted the md.trr file and created an empty md.trr file. when i tried to restart

[gmx-users] Restarting a simulation after replacing an empty md.trr file

2013-11-12 Thread arun kumar
Dear Gromacs users, I am running a 50ns simulation of a protein having nearly 700 residues on 60 threads (Gromacs 4.6.3). At one point i got a disk space problem, so i have deleted the md.trr file and created an empty md.trr file. when i tried to restart the simulation from check point file on 100