[gmx-users] generating solvents

Jochen Hub jhub at gwdg.de
Mon Nov 28 12:04:02 CET 2005

Rongliang Wu wrote:

>Hello gmx-users,
>	i generated a small box of 2 2 2 which will be use to gennerate a larger box with "genbox", but after i generated the larger box i found the density and number of molecules in the larger box is much smaller than normal. i wonder why? is it related with the cutoffs?
Perform an equilibration run with pressure coupling. Afterwords the
densities should be the same.


Jochen Hub
Max Planck Institute for Biophysical Chemistry
Computational biomolecular dynamics group
Am Fassberg 11
D-37077 Goettingen, Germany
Email: jhub[at]gwdg.de

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