From: Boyang Wang (pkuwangboyang_at_gmail.com)
Date: Mon Nov 29 2010 - 06:15:16 CST
I am trying to set an improper for a trans-double bond. In the attached pdb
file, I am trying to set
an improper for the NH1=NH1 double bond. It seems that the improper "CD
NH1 CD NH1"
with angle value set as "0.00" always leads to unstable simulations, and the
bond always goes to the cis-configuration.
I appreciate a lot for your help.
-- Boyang Wang, Ph.D.
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