[gmx-users] simulation at constant temprature

sreelakshmi ramesh sree.lakshmi at research.iiit.ac.in
Fri Dec 24 15:36:03 CET 2010


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.
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