AMBER Archive (2005)

Subject: Re: AMBER: MD problems/shake

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Mon Dec 19 2005 - 17:14:10 CST

> What I can do about the problem?

You might try an angular restraint - key thing is to keep
the H from pulling out of the vdw of the O if it (the H)
has no vdw.

Bill
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