Re: [gmx-users] How to calculate van der Waals potential between a given residue and the rest of residues in the protein?

<[EMAIL PROTECTED]> To: Discussion list for GROMACS users Sent: Monday, September 1, 2008 5:37:47 AM Subject: Re: [gmx-users] How to calculate van der Waals potential between a given residue and the rest of residues in the protein? Limei Zhang wrote: > Dear all, > >  > &

Re: [gmx-users] How to calculate van der Waals potential between a given residue and the rest of residues in the protein?

Limei Zhang wrote: Dear all, 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? Different contributions to the potential can

[gmx-users] How to calculate van der Waals potential between a given residue and the rest of residues in the protein?

Dear all, 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? Thanks, LZhang ___