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

Hi, As always, one needs to seek a forcefield that already supports such a molecule, or someone who has parameterized an extension for one that does. Generally that starts with a literature search, or maybe the contribution section of the GROMACS website. And then to test the quality yourself.

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

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 -- Gromacs Users mailing list * Please search the archive at