[gmx-users] Solvent

Dmytro d.kovalskyy at chem.rug.nl
Thu Feb 20 16:28:51 CET 2003


Hi,

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 
for?

Yours,
Dmitry




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