Hassan Shallal wrote:
Dear Gromacs users,
I have had one of my studied proteins simulated in a 5 ns production.
Now, I wonder how can I get, let's say, 100 coordinates files, each file
represent the coordinates of the protein at certain time during the
simulation, for example, each 50 ps OR.. What if I want these 100 files
to represent the most stable and least energetic conformations of the
protein during this 5 ns simulation independent of which time they
represent... I know that VMD can be used for that but I am not quite
sure how I can do it...
Any hint or link or tutorial would be fully appreciated...
See trjconv -h, with special attention to the -dump, -skip, and/or -sep options.
-Justin
Thanks
Hassan Shallal
UOP
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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