[gmx-users] Secondary structure propensity.

Subhomoi Borkotoky subhomoy.bk at gmail.com
Fri Feb 16 09:40:49 CET 2018


I believe *do_dssp* will do the trick. Generate the *.xpm* matrix file , it
contains the required information.


S. Borkotoky

On Fri, Feb 16, 2018 at 1:30 PM, Sundari <sundi6170 at gmail.com> wrote:

> Dear gromacs users,
> can any one please tell me that how we get the secondary structure
> propensity or secondary structure content(%) as a function of simulation
> time.
> I used "gmx do_dssp" but it gives me number of residues forming the
> secondary structure vs simulation time. is it same thing or something
> different?
> Thank you in advance..
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Yours Sincerely,
*Dr. Subhomoi Borkotoky, Ph. D.*
DBT Research Associate,
Kusuma School of Biological Sciences,
Indian Institute of Technology Delhi,
New Delhi-110016,


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