AMBER Archive (2003)

Subject: writing mol2 files using antechamber

From: Giulio Rastelli (rastelli.giulio_at_unimo.it)
Date: Sat Mar 22 2003 - 17:41:41 CST

Dear all,
I would like to write a mol2 file of a protein with stbyl atom types and
amber charges, starting from a pdb. Antechamber seems to produce mol2
files
with aminoacid residues all numbered 1, consequently the TRIPOS
SUBSTRUCTURE
contains only the first residue. The command I used is
antechamber -i enz.pdb -fi pdb -o enz.mol2 -fo mol2 -at sybyl

Also, how to write parm99 charges in the mol2?
Thank you very much for your help
Giulio 

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Giulio Rastelli
Dipartimento di Scienze Farmaceutiche
Universita di Modena e Reggio Emilia
Via Campi 183
41100 Modena - ITALY
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tel 0039-059-2055145
fax 0039-059-2055131
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