[gmx-users] sample MDP files for gradual heating

[Akshay Patny]

Hi GROMACS users

 

I am trying to simulate a GPCR in pre-hydrated lipid bilayer from Dr.
Tieleman's website.

 

I have been trying to understand the .MDP file architecture. I want to set
up a gradual 'heating' of the system from 0 - 300 K, run it at 300 K to let
the system equilibrate, and then do a production phase simulation.

 

Is there some sample MDP files which deal with the step-wise heating of the
system? If anybody has similar sample MDP files, I would appreciate if you
can share it with me, as it will help me a great deal.

 

Thanks

Akshay

 

Akshay Patny

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