[gmx-developers] Potential energy calculation

[Vibin R]

Dear Sir
	Can we calculate the potential energy of a structure from a
pdbfile with gromacs, without doing either energy mininisation or MD. If
it has to be done with slight adjustments in the source code, please let
me know, where the changes has to be made. Basically i want to get the
vanderwaals and coulombic interaction energies of a structure from a given
pdb file.
	Expecting your kind attention
Regards
vibin
                                                                       
                 
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