AMBER Archive (2005)

Subject: Re: AMBER: MD problems/shake

From: blakrose_at_gazeta.pl
Date: Mon Dec 19 2005 - 17:33:12 CST

 
 
>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?
 
Pawel
 
 

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu