top files for ligands

From: Oliver Hucke (
Date: Wed Oct 08 2003 - 13:02:42 CDT

Hi there,

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

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