[gmx-users] Save all MD snapshot

Andreas Kring akring at fys.ku.dk
Tue Jul 1 11:49:34 CEST 2008


Collins Nganou skrev:
> Dear Users.
> 
> Greetings. Please someone can tell me how can I proceed
> to save all MD snapshot for a long time simulation
> after equilibration.
> 

You can set the parameters below to the value "1" in the configuration 
file for mdrun.

nstxout = 1
nstvout = 1
nstfout = 1

/Andreas



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