subject:"\[gmx\-users\] simulation at constant temprature"

Re: [gmx-users] simulation at constant temprature

2010-12-24 Thread Jussi Lehtola

On Fri, 24 Dec 2010 06:36:03 -0800 sreelakshmi ramesh wrote: > Dear Gmx users, > I wanted to do a simulation with NVE > ensemble but i want the temprature to be always around 300k but in my > simulation the temp is 380k.I am usng leap frog as integrator .can > anyone help

[gmx-users] simulation at constant temprature

2010-12-24 Thread sreelakshmi ramesh

Dear Gmx users, I wanted to do a simulation with NVE ensemble but i want the temprature to be always around 300k but in my simulation the temp is 380k.I am usng leap frog as integrator .can anyone help me out with this.how to do the velocity rescaling regards, sree. --