[gmx-users] Free energy calculation for aminoacids

Marzieh Saeedi Masineh msaeedi at mail.kntu.ac.ir
Sat Jun 27 14:53:35 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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