+++ 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 _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
