reassigning temp. during MD

From: Raik Gruenberg <>
Date: Fri 11 Aug 2000 17:03:06 +0200 (MET DST)


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!

Raik Gruenberg
Received on Fri Aug 11 2000 - 08:03:06 PDT
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