> equilibration at 50K at constant
> volume and then I turn on constant pressure equilibration
Did you jump the temperature or change the time step between
the two? I suggest pasting in all your mdin files to the response.
Bill
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun Dec 04 2011 - 12:30:03 PST
