Re: MD without SHAKE

From: Bill Ross <>
Date: Mon 26 Feb 2001 17:51:25 -0800 (PST)

        My question is, can I run MD for solvated DNA with SHAKE
        turned off? What settings should I use to make sure the
        simulation runs smoothly?
Timestep = 1 fs instead of 2 is the common practise, I believe.

Bill Ross
Received on Mon Feb 26 2001 - 17:51:25 PST
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