[gmx-users] extending simulation confusion?
nishap.patel at utoronto.ca
nishap.patel at utoronto.ca
Thu Feb 4 20:37:42 CET 2010
Hi,
I am trying to extend my simulation time from 100ns -> 300ns. So I
used the command :
tpbconv -s old.tpr -extend 100000 -o new.tpr
but I got this:
Extending remaining runtime of by 200000 ps (now 149999992 steps)
Writing statusfile with starting step 0 and length 149999992
steps...
time 0.000 and length 300000.000 ps
So this means, basically the simulation is starting all over again and
now it will run for 300ns? Is there a way I can specify what step to
run from?
Thanks
-Nisha P
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