[gmx-users] simulation at different temperature

Alex Mathew alexmathewmd at gmail.com
Wed Jul 5 19:45:22 CEST 2017

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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