|
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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