feenstra at chem.vu.nl
Thu Feb 20 15:41:02 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
What solvent is that?
| | |
| _ _ ___,| K. Anton Feenstra |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
|( | )| | | De Boelelaan 1083 - 1081 HV Amsterdam - Netherlands |
| \_/ \_/ | | | Tel: +31 20 44 47608 - Fax: +31 20 44 47610 |
| | Feenstra at chem.vu.nl - www.chem.vu.nl/~feenstra/ |
| | "I'm Not Gonna Die Here !" (Sphere) |
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