On 2/16/18 3:40 AM, Subhomoi Borkotoky wrote:
Hello,
I believe *do_dssp* will do the trick. Generate the *.xpm* matrix file , it
contains the required information.
Only indirectly, but scount.xvg has all that is needed, the number of
residues in a given secondary structure as a function of time. From
that, percentage over time is a trivial scripting task, [(# in SS) / (#
of residues)]*100.
-Justin
Regards,
S. Borkotoky
On Fri, Feb 16, 2018 at 1:30 PM, Sundari <sundi6...@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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