[gmx-users] Running a crashed run

bharat gupta bharat.85.monu at gmail.com
Fri Jan 21 02:46:40 CET 2011


I am running a crashed run (orgininally for a 3ns simulation) but at the
time of rerunning I forgot to assign -v tag in the command and now I an not
able to know at which step the simulation is going on .. For that I check
the state.cpt file , actually there are two .cpt files one with state.cpt
and other with state_prev.cpt (this one got created while rerunning the
simulation) in one file its showing last frame as 926 and other file as 924
so I don't know at what step the simulation is going on (originally I kept
for 1500000 steps). Can anybody let me know how to find out at what time is
this simulation going on ??

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