From: ipsita basu (ibasu788_at_gmail.com)
Date: Tue Jan 18 2011 - 23:05:34 CST
Sir,
I have a lipid membrane -peptide system which I equilibrated for
25 ns keeping the backbone of the peptide fixed. When I reduce the
force value slowly in the fix atom file, the structure of the peptide
is ok but when I set the fix atoms option off, the secondary structure
of the peptide breaks.
Can you please tell me what is the proper reason behind it? Is there
any option to change in the input script ? Thank you. Waiting for your
reply.
-- Ipsita Basu Research Fellow c/o : Dr. Chaitali Mukhopadhyay Rajabazar Science College 92 APC Road Kolkata - 700009
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