> I am running 100 ps equilibration run before going for production run. I
> just want to that is there any criteria to know that equilibration was
> adequate from rmsd curve of the equilibration run. Or I have to check all
> other parameters?
I would graph energy components, volume, and anything else that comes
to mind - to be sure and to learn more.
Bill
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Received on Fri May 29 2009 - 01:10:41 PDT
