[gmx-users] Mixed Solvation - MEA and water

Chintan Bhagat cbb.chintan at gmail.com
Mon Jan 30 06:22:01 CET 2017

Hello All,

I am new to gromacs and I found it is very good software for MD study.

Now, I want to study the effect of various concentration of MEA (30% to
70%) on my enzyme. My system contains only MEA and water in different

Can any one help to write the script or run procedure?


Chintan Bhagat
Mob. +91 88 66 61 11 49

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