Re: AMBER: MD problems/shake

From: <>
Date: Tue, 20 Dec 2005 00:44:59 +0100 (CET)

I have tried doing restraint, but the problem is still the same.
Here is a sample of HO-OH-P restraint:
 &rst iat= 4153, 4154, 4155, r1= 24., r2= 64., r3= 84., r4=124.,
rk2 = 15., rk3 = 15., &end"
|awel Gruszczynski
>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.
How to check if H has no vdW?

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Received on Mon Dec 19 2005 - 23:53:01 PST
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