AMBER Archive (2005)

Subject: AMBER: freee energy calculation without minimised structure

From: S.Sundar Raman (sundar02_at_gmail.com)
Date: Wed Apr 13 2005 - 02:00:08 CDT

dear all,
 i am working on peptide conformations in various secondrary
structure. in that i build a model squence as like collagen as
gly-pro-hyp. i want to calculate free energy of that system. when i
minimised that model it never ended normally, it always ended in
repeated laminin failure.is it ok to start free energy calculation
with laminin failure structre. or what i have to do to get rid of
laminin failure.
thanks 

-- 
S.Sundar Raman
Chemical Lab,
CLRI
Chennai-20
ph: 044-24411830
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