AMBER Archive (2001)

Subject: Re: MD without SHAKE

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Mon Feb 26 2001 - 19:51:25 CST

        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