[gmx-users] extending simulation

Bala subramanian 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.


More information about the gromacs.org_gmx-users mailing list