AMBER Archive (2005)

Subject: Re: AMBER: reordering atoms after antechamber

From: FyD (fyd_at_u-picardie.fr)
Date: Mon Nov 28 2005 - 09:10:17 CST


Quoting Vlad Cojocaru <Vlad.Cojocaru_at_eml-r.villa-bosch.de>:

Why not using directly the .mol2 file in LEaP i.e.?
"MOL2 = loadmol2 Your-Molecule.mol2"
in AMBER8/LEaP
See http://www.u-picardie.fr/labo/lbpd/RED/FAQ-II.htm#3

regards, Francois

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu