[gmx-users] simulation at different temperature

Alex nedomacho at gmail.com
Wed Jul 5 20:31:02 CEST 2017

Of course: http://manual.gromacs.org/online/mdp_opt.html -- see 
'simulated annealing'.


On 7/5/2017 11:45 AM, Alex Mathew wrote:
> Dear gmx users,
> I would like to see the temperature dependence of an ion channel/membrane
> protein in lipid bilayer system. My plan is to run a simulation at 300 K to
> 340 K by increasing 5 K and observing the permeation of molecules, pore
> diameter, sec structure .etc.   Are there any techniques available to do
> this at a time? Or I have to run the independent simulation for all these?

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