[gmx-users] Simulation of a protein in a water/DMSO box

[Simone Cirri]

Hi everyone,

I need to run a simulation of a protein in a water/DMSO mixture. I can't
quite understand how should I do this... should I normally solvate the
protein with water and then replace a certain number of water molecules
(according to the needed % of DMSO) with DMSO molecules? But in this case,
how should I do it? Is there a way of replacing solvent molecules with other
solvent molecules, but of a different type?
I'm sorry but I don't know which procedure to follow.
Thanks in advance

Simone Cirri

simonecirri at gmail.com
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20090928/c6f1179f/attachment.html>