charmm charge style

From: carlos alberto gueto tettay (
Date: Thu Dec 27 2007 - 12:55:00 CST

Hi NAMD's user:

I'm Carlos Gueto from UdeC, Colombia.... I'm trying to parametrize a ligand to performe my NAMD MD.... I have already made two QM calculations like the paratool user guide said..... but it doesn't say almost nothing about how determine Charmm charges... CAN SOMEBODY HELP ME ? PLEASE... I WOULD LIKE IF YOU CAN EXPLAIN ME STEP BY STEP...

I'll appreciate your help and time....


Carlos Alberto Gueto Tettay
Grupo de Quimica Cuantica y Teorica
Universidad de Cartagena
Cartagena, Colombia
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