d.kovalskyy at chem.rug.nl
Thu Feb 20 16:28:51 CET 2003
I'm prepearing the system for simulation. After genbox I'm doing md with
posres of protein atoms. From the very begining solvent rapidly
desrease its own volume and becomes more dence. In my box holes start to
appear ! Genbox generated solvent molecules with default pressure.
I'didn't used pressure coupling in the posres. What it coulbd be related
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