AMBER Archive (2003)

Subject: AMBER: gaff errors?

From: Difei Wang (dwang_at_nd.edu)
Date: Tue Nov 25 2003 - 18:53:43 CST

Dear All,

I found two "wierd" numbers in gaff parameter file. One is at line 32, the mass of nd
is 12.01 and should it be 14.01?. The other is at line 43, pd is P and the mass
is 12.01. Should it be 30.97? If someone already mentioned it, please ignore this email.

Difei

Difei Wang, Ph.D.
Department of Chemistry and Biochemistry
University of Notre Dame
Notre Dame, IN
USA

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