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Can Yank prepare a mixed solvent system? #1317

@yt203y

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@yt203y

I am in the process of running alchemical free energy simulations. I just came across YANK in my search. From the manual, it seems to be an excellent platform for my needs. However, a part of my research plan is to conduct simulations in a mixed solvent (water and methanol). I'm wondering if a mixed solvent system can be prepared using YANK? I tried to look at the manual but couldn't find a way to prepare a mixed solvent environment.

Any suggestions would be appreciated

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