[gmx-users] Topolgen and topolbuild

ABEL Stephane Stephane.ABEL at cea.fr
Wed Oct 4 12:15:23 CEST 2017


Hi

if your molecule is a ligand, you could use ParamChem (https://cgenff.paramchem.org/) 

Stéphane

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Message: 1
Date: Wed, 4 Oct 2017 10:10:24 +0200 (CEST)
From: Sergio Manzetti <sergio.manzetti at fjordforsk.no>
To: gmx-users <gmx-users at gromacs.org>
Subject: [gmx-users] Topolgen and topolbuild
Message-ID:
        <1029199322.16738012.1507104624251.JavaMail.zimbra at fjordforsk.no>
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Hi, I found these tow programs on GMX site, however they don't work. How can I generate a CHARMM topology to be used in GMX for a charged molecule?

Sergio Manzetti

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