[gmx-users] trans-membrane protein simulation

Amir Zeb zebamir85 at gmail.com
Mon Aug 7 04:25:49 CEST 2017

Hello gmx-users!

I want to simulate a membrane protein, where it sets across the membrane
(means that some of the protein's region lays outside the membrane and is
water exposed). Obviously, the protein will be experiencing two different
environments like membrane and water (heterogeneous condition) during the

Will it please be recommended to follow the* Justin tutorial *for membrane
protein simulation (
or I should make some modifications to this tutorial? Also, please suggest
me whether this kind of simulation in heterogeneous condition is worth
enough to get reliable data or not?


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