[gmx-users] md simulation of a protein in mixture of water and DMSO

Atila Petrosian atila.petrosian at gmail.com
Wed May 23 05:45:58 CEST 2018


Dear gromacs users,

I want to do md simulation of a protein in mixture of water and DMSO
molecules.

Is it possible with gromacs?

How to do it? How to obtain itp file for DMSO?

Any help will highly been appreciated.

Best,
Atila


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