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 [email protected]
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