[gmx-users] Constant Volume Simulation.

[Paul van Maaren]

+++ 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
coupling).

-- 
Groeten,

Paul