[gmx-users] Constant Volume Simulation.

Paul van Maaren maaren at home.nl
Sat Jul 1 07:53:50 CEST 2006

+++ karamyog singh [Fri, Jun 30, 2006 at 03:27:47PM +0200]:
> Dear users, How can I do a constant volume simulation in Gromacs? By
> removing Pressure coupling, it is constant pressure. By removing both
> Pressure and Temp coupling, it will be constant energy simulation.
> What is the method of implementing a constant volume simulation.

If you do not use pressure coupling, you are doing a constant volume 
simulation. Pressure coupling is achieved through scaling the box. Use
g_energy to look at the box-lengths (only available for runs with pressure



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