> I once again tried to create the system from scratch several (6)
> times and ran all the steps. Analysis (energy,
> temp, pressure, density and volume) of every run seems to be fine.
> But eventually I end up with the same problem (voids in the solvent layers).
I wonder if you are accidentally naming a wrong .rst file and
thus discarding the constant pressure phase. Or are you going
back to constant volume before constant pressure has shrunk
the box enough?
Bill
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon May 17 2010 - 10:00:06 PDT
