[gmx-users] generating solvents

[Jochen Hub]

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


-- 
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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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