Subject: MM2 lone pair

From: "Charlene Liang" <[email-masked]>
Date: Tue, 29 Aug 1995 17:23:26 -0400

Dear all,

I would appreciate any comments from those of you who have used MM2(87) from
QCEP before.

The system involve a disulfur (S-S) bond and a peptide bond (-CA-N-C-CA-).
                                                               | |
                                                               H O
The question is : are lone pairs necessary for N, or O or S ?

Personal e-mail response prefered.  Thank you in advance.

Charlene

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Charlene Liang                |  (203) 481-1104 ext. 87
[email-masked]     |  (FAX) (203) 481-1106