Dear Amber,
i successfully create the PRMTOP file and INPCRD file succesfully based on tutorial but on my own ligand without error but when i load the PRMTOP and INPCRD into the VMD my molecules become "spiderweb". Will the different theory of charge derivation will yield bonding information?
Regards
min
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Received on Thu Apr 26 2012 - 07:00:03 PDT
