AMBER Archive (2002)

Subject: P.3 in antechamber

From: Giulio Rastelli (rastelli.giulio_at_unimo.it)
Date: Thu Nov 21 2002 - 05:02:16 CST

Dear users,
I noticed that antechamber writes out mol2 files in which a sp3
phosphorous is P3
instead of P.3
If you wish to write out a correct P.3 atom type you can just edit
antechamber.c
and parmcal.c and replace P3 with P.3.
Hope this hels.
Best regards,
Giulio 

-- 

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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