AMBER Archive (2009)

Subject: [AMBER] problem with secstruct action command in ptraj

From: nicholus bhattacharjee (nicholusbhattacharjee_at_gmail.com)
Date: Mon Apr 06 2009 - 06:49:44 CDT

Dear members,
                        I am trying to find the secondary structure of
residues in protein during MD simulation. So I have made my input file as
follows
> trajin mdcrd (my coordinate set)
> secstruct out x time 1 :4-7(for residue 4 to 7)

The results shows only 0 value for all residue (4-7) for all time period
during MD run.
I don't know if I am doing anything wrong. Please help me. 

-- 
Nicholus Bhattacharjee
PhD Scholar
Department of Chemistry
University of Delhi
Delhi-110007 (INDIA)
Phone: 9873098743(M)
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