>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.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Mon Dec 19 2005 - 23:53:00 PST
