[gmx-users] Thermal_Unfolding

[Justin A. Lemkul]

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

========================================