The Gly HA2/HA3 should have type H0 (it is "0" as in 0, 1, 2, 3 ...), not
H1, to differentiate this particular alpha-carbon H from others.
yong
-----Original Message-----
From: owner-amber.scripps.edu [mailto:owner-amber.scripps.edu] On Behalf Of
Sandro Fornili
Sent: Tuesday, November 21, 2006 8:21 AM
To: amber.scripps.edu
Subject: AMBER: ff03 GLY HAs atom type
Dear all,
In ff03 the atom type of GLY HA2 and HA3 is HO rather than H1. Is it is a
typo or related to peculiar properties of glycine? I was not able to find a
specific answer in Duan et al. JCC 24 (03) 1999.
Many thanks
Sandro
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Received on Wed Nov 22 2006 - 06:07:38 PST
