From: Oliver Hucke (ohucke_at_u.washington.edu)
Date: Wed Oct 08 2003 - 13:02:42 CDT
I am about to setup a simulation with a protein with a bound substrate
molecule, which means that I need a topology file for the substrate.
Is somebody aware of a program that can create a charmm top file for a
small organic molecule starting from the pdb file?
I know that Quanta can do this but don't have access to this program.
I am looking for a non-commercial program.
How do you usually deal with this problem?
Thanks in advance!
-- _______________________________________ Oliver Hucke (PostDoc) Biomolecular Structure Center Dept. of Biochemistry University of Washington Health Sciences Building K-418C 1959 NE Pacific St Seattle, WA 98195 T:(206)685-7046 _______________________________________
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