Dear Gromacs users,
I want to know that during interaction energy calculation after md run,
what dielectric constant does groamcs use? Does it use the dielectric
constant specified in the mdp file or it uses distance dependant
dielectric constant. I have given dielectric constant 1 during md run, but
while calculation interaction energy between ligand and protein after
mdrun, i want to use distance dependant dielectric constant. I went
through the gromacs manual but could not get the clear picture. Is there
any way for the same?
Thanks
Alok Sharma
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