shahid nayeem wrote:
Dear Gromacs Users
I want to study thermal unfolding of protein in gromacs. One way to do
is to simulate at different temperature. What I want to do is to
gradually increase temperature after each n number of steps and collect
the n' number of frame for each temperature interval. If I can do this
in gromacs then what should be the .mdp file for such increment in
temperature at regular intervals.
Start with the manual.
http://manual.gromacs.org/online/mdp_opt.html#sa
-Justin
--
========================================
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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