[gmx-users] Extend the simulation
elkhot at gmail.com
Sun Feb 21 00:49:44 CET 2016
If I have this file md_0_1_prev.cpt What is the text exactly? It asks
On 2/20/16 5:32 PM, Elsaid wrote:
>* The simulation has the time, which is time of the wanted simulation. But the
*>* job was killed by the server.
If the simulation terminated prior to completion, you don't need to operate on
the .tpr file at all. Just continue from the last checkpoint
mdrun -cpi -append
Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201
jalemkul at outerbanks.umaryland.edu
On Sun, Feb 21, 2016 at 12:32 AM, Elsaid <elkhot at gmail.com> wrote:
> The simulation has the time, which is time of the wanted simulation. But
> the job was killed by the server.
More information about the gromacs.org_gmx-users