> After 150ps of the latter, I observe (perl script & xmgrace) constant TEMP PRES
> VOLUME DENSITY EPTOT ETOT
If everything is constant, and (visually) your system looks OK, my
guess is that you can now turn on QM...
> Are somewhere guidelines how to interpret xmgrace plots for summary_TSOLVENT
> summary_TSOLUTE?
I really don't know what that is :-S.
Gustavo.
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Received on Sun Sep 02 2007 - 06:07:11 PDT
