[gmx-users] Free energy calculation for aminoacids
Marzieh Saeedi Masineh
msaeedi at mail.kntu.ac.ir
Sat Jun 27 14:58:01 CEST 2015
Hi all
I want to calculate free energy of solvation for a leucine and some other aminoacids individually,according to Justin tutorial : methane in the water.
Is it reasonable to follow that method for free energy determination of one amino acid?
Cheers
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