Re: [gmx-users] Restart a stopped simulation after a power failure? correct command (Justin Lemkul) : gromacs.org_gmx-users Digest, Vol 156, Issue 81

emkul mailto:jalem...@vt.edu>> To: gmx-us...@gromacs.org <mailto:gmx-us...@gromacs.org> Subject: Re: [gmx-users] restart a stopped simulation after a power failure? correct command Message-ID: mailto:c8f54875-63e8-3f17-50ea-c8fe506ec...@vt.edu>> Content-Ty

Re: [gmx-users] restart a stopped simulation after a power failure? correct command (Justin Lemkul) : gromacs.org_gmx-users Digest, Vol 156, Issue 81

ried, mdrun -s md.tpr -cpi state.cpt -append > > Is it any modification required in command? > > Regards, > Adarsh V. K. > > > -- > > > > Message: 4 > > Date: Tue, 18 Apr 2017 08:21:56 -0400 > > From: Justin Lemkul > > To: g

Re: [gmx-users] restart a stopped simulation after a power failure? correct command (Justin Lemkul) : gromacs.org_gmx-users Digest, Vol 156, Issue 81

> > Message: 4 > Date: Tue, 18 Apr 2017 08:21:56 -0400 > From: Justin Lemkul > To: gmx-us...@gromacs.org > Subject: Re: [gmx-users] restart a stopped simulation after a power > failure? correct command > Message-ID: > Content-Type: text/plain; charset=windo

Re: [gmx-users] restart a stopped simulation after a power failure? correct command

On 4/18/17 1:21 AM, Adarsh V. K. wrote: Dear all, I use Gromacs 5.1.4 for protein ligand simulation. How can I restart a stopped simulation after a power failure? I used the following command to restart the stopped simulation at 6.5 ns. *mdrun -s md.tpr -cpi state.cpt* Even Though the simul

[gmx-users] restart a stopped simulation after a power failure? correct command

Dear all, I use Gromacs 5.1.4 for protein ligand simulation. How can I restart a stopped simulation after a power failure? I used the following command to restart the stopped simulation at 6.5 ns. *mdrun -s md.tpr -cpi state.cpt* Even Though the simulation appeared to be restarted successfully