[gmx-users] extending simulation
bala.biophysics at gmail.com
Sat Jul 28 16:26:56 CEST 2012
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.
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