Hi,
Why not just use the hbond command? In cpptraj something like 'hbond
.C,N,H,O avgout hbavg.dat' should work.
-Dan
On Monday, September 17, 2012, vaibhav dixit wrote:
> Dear Amber users,
> I'm using secstruct command for making secondary structure prediction.
> Manual says that it uses DSSP program. My question is...
> Can DSSP program be used to print a list of pair of AA residue names/IDs
> that form backbone H-bonds in a given protein sequence?
> It does seem to calculate/use this information for giving the usual output
> files.
>
> Thanks for your help and suggestions in advance.
>
> --
> With regards
>
> Vaibhav A. Dixit
> Ph.D. Scholar
> Department of Medicinal Chemistry
> Natl. Inst. Pharm. Edu. & Res. (NIPER)
> Sector 67, Phase X, S.A.S. Nagar (Mohali)
> Punjab -160 062 INDIA
> Phone (Mobile): +919915214408
> E-mail: vaibhavadixit.gmail.com <javascript:;>
> www.niper.nic.in
> _______________________________________________
> AMBER mailing list
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> http://lists.ambermd.org/mailman/listinfo/amber
>
--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-9119 (Fax)
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Received on Mon Sep 17 2012 - 06:00:06 PDT
