[gmx-users] extending simulation
Mark.Abraham at anu.edu.au
Sat Jul 28 16:33:50 CEST 2012
On 29/07/2012 12:26 AM, Bala subramanian wrote:
> I have a completed simulation for 30ns (done with gro. 4.5.4), Now I
> want to extend the simulation for another 30ns. In gromacs page (Ext.
> simulations), I found the following procedure to extend the
> tpbconv -s previous.tpr -extend timetoextendby -o next.tpr
> mdrun -s next.tpr -cpi previous.cpt
> I want to know what is this previous.cpt file. Does it contain the
> last frame (with coor, velocities) of the previous run.
> By using "-extend time" with tpbconv, will the starting time of
> extended trajectory be from 30ns.
Yes... or you could have made a backup and tried it to see :-)
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