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residue mutation in fesetup #18

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hollyfreedman opened this issue Sep 17, 2020 · 0 comments
Open

residue mutation in fesetup #18

hollyfreedman opened this issue Sep 17, 2020 · 0 comments

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@hollyfreedman
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Dear Developers of FES-setup,

I just read about your program, and I am excited to try it out. I was wondering if it works for residue mutations in proteins (with no ligand), i.e. to find the difference in free energy of a solvated protein system when for example a glycine residue has been mutated to a serine?

Thanks in advance,
Holly Freedman

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