[gmx-users] How to calculate van der Waals potential between a given residue and the rest of residues in the protein?
limei_z at hotmail.com
Sun Aug 31 23:10:39 CEST 2008
Is it possible to use GROMACS function(s) to calculate the averaged van der Waals potential /Coulomb potential between a given residue and the rest residues in the protein during a certain time of simulation?
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