[gmx-users] How to define NVE ensemble in gromacs

JMandumpal jesbman at rediffmail.com
Wed Jul 9 07:46:52 CEST 2008

Disable Temperature and Pressure coupling parameters in your script and variables related to them as well.

Tcoupl                   = no
Pcoupl                   = no

On Wed, 09 Jul 2008 beibei wrote :
>Hi, all
>        How to define NVE ensemble in mdp file? thanks.
>                                                                                 beibei
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