AMBER Archive (2005)

Subject: Re: AMBER: reordering atoms after antechamber

• Previous message: Anthony Cruz: "AMBER: CD spectrum"
• In reply to: Vlad Cojocaru: "AMBER: reordering atoms after antechamber"
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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

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• Previous message: Anthony Cruz: "AMBER: CD spectrum"
• In reply to: Vlad Cojocaru: "AMBER: reordering atoms after antechamber"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]