Dear all,
Can someone tell me the file format (or post an example) for reading in
charges in antechamber using the -c rc -cf <file with charges> flag?
The ambertool manual shows as an example:
antechamber -i mtx.pdb -fi pdb -o mtx.mol2 -fo mol2 -c rc -cf mtx.charge
I have been supplied with RESP charges of my ligands already, and I just
want to read them in to create my gaff parameter mol2 file for my ligand.
Thanks so much in advance!!
Dean
Dr. Dean Cuebas, Associate Professor of Chemistry
deancuebas.missouristate.edu, Ph 417-836-8567 FAX 417-836-5507
Dept. of Chemistry, Missouri State University
Springfield, Missouri 65897
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Received on Sun Oct 04 2009 - 13:30:01 PDT
