[gmx-users] restarting simulation
gmelaugh01 at qub.ac.uk
Fri Jun 11 16:09:24 CEST 2010
XAvier Periole wrote:
> On Jun 11, 2010, at 3:30 PM, Gavin Melaugh wrote:
>> Hi all
>> For restarting a crashed simulation, do you have to use the -s topol.tpr
>> in the command below. I have left it out and everything seems to be O.K.
>> I'm just double checking though.
>> mdrun -s topol.tpr -cpi state.cpt -append
> -s topol.tpr is the default option so it never has to be specified
> unless you
> use a different name than topol.tpr.
> so the answer is no :)) but it does not matter
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