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AMBER Archive (2001)Subject: RESP charges!
From: PRADIPTA Bandyopadhyay (pradipta_at_cgl.ucsf.edu)
Hi,
My RESP calculation for a ligand ( optimized with AM1 and then single
ESP relative RMS (SQRT(chipot/ssvpot)) 0.10962
which is larger than most of the other molecules I have calculated.
Is there any trick to make the above number smaller ( assuming that
Pradipta
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