AMBER Archive (2000)

Subject: reassigning temp. during MD

From: Raik Gruenberg (Raik.Gruenberg_at_embl-heidelberg.de)
Date: Fri Aug 11 2000 - 10:03:06 CDT

Hi,

is it possible to prompt sander to reassign velocities from a Maxwell
distribution such and such often in the course of a MD run?
I faced some difficulties to equilibrate my protein and the only
work-around I have come up with so far is to restart the simulation
several times.

Thanks for any advise
and have a nice weekend!

Ciao
Raik
____________________________
Raik Gruenberg
gruenber_at_embl-heidelberg.de
www.raiks.de/contact.html