[gmx-users] Secondary structure propensity.

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


Hello,

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

Regards,

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..
> --
> Gromacs Users mailing list
>
> * Please search the archive at http://www.gromacs.org/
> Support/Mailing_Lists/GMX-Users_List before posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
>



-- 
Yours Sincerely,
--------------------------
*Dr. Subhomoi Borkotoky, Ph. D.*
DBT Research Associate,
Kusuma School of Biological Sciences,
Indian Institute of Technology Delhi,
New Delhi-110016,
India.


https://scholar.google.co.in/citations?user=bJz7GokAAAAJ&hl=en


More information about the gromacs.org_gmx-users mailing list