Hello
I'm doing a MM optimization using Amber FF in Gaussian, but it fails. I
have HO atoms in the system and as it's defined in Amber, vdW parameters
for HO atom are zero. When I change the vdW parameters, the problem get
fixed. I'm just wondering whether or not it's admissible to do so and if it
is, what values for the vdW parameters I should consider?
Sincerely
*Morteza Chehel Amirani*
PhD Candidate
Department of Mechanical Engineering
University of Alberta
6-29 Mechanical Engineering Building
Edmonton, Alberta, T6G 2G3
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Received on Wed Apr 10 2013 - 16:00:02 PDT
