From owner-nwchem-users@emsl.pnl.gov Wed Jul 7 13:53:26 2004 Received: from odyssey.emsl.pnl.gov (localhost [127.0.0.1]) by odyssey.emsl.pnl.gov (8.12.10/8.12.10) with ESMTP id i67KrPHQ018307 for ; Wed, 7 Jul 2004 13:53:25 -0700 (PDT) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.12.10/8.12.10/Submit) id i67KrPbu018306 for nwchem-users-outgoing; Wed, 7 Jul 2004 13:53:25 -0700 (PDT) Date: Wed, 07 Jul 2004 22:53:22 +0200 (MEST) From: roberto.lins@epfl.ch Subject: Re: watching .trj (trajectorty file) generated with NWChem in VMD In-reply-to: <40EC47C3.9090200@sickkids.ca> X-Originating-IP: 213.103.159.3 To: Nilmadhab Chakrabarti Cc: nwchem-user , nilu@sickkids.ca Message-id: <1089233602.40ec62c248b75@imapwww.epfl.ch> MIME-version: 1.0 Content-type: text/plain; charset=ISO-8859-1 Content-transfer-encoding: 8bit User-Agent: IMP/PHP IMAP webmail program 2.2.8 X-Imap-User: roberto.lins@epfl.ch X-Scanned-By: MIMEDefang 2.39 References: <40EC47C3.9090200@sickkids.ca> Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk Hi Nilu, The NWChem analysis module can convert your "trj" file into a "amb" format. In VMD choose (specify) "crd" trajectory format before loading it. (Just be sure that your pdb file has the same number of atoms of your converted trajectory). Regards, Roberto Quoting Nilmadhab Chakrabarti : > Hi everyone: > > has anyone seen trajectory files generated using NWChem MD module in > VMD. > when i load the pdb VMD displays the pdb file and > then once i load corresponding minimization MD trajectory to VMD, it > doesnt load and VMD console > gives > "Could not read file glpf11_01.trj" > "read_dcdreader returned -6" > > Has anyone encountered this before? > > With best regards, Nilu > > ______________________________________________________________________ > This email has been scanned by the MessageLabs Email Security System. > For more information please visit http://www.messagelabs.com/email > ______________________________________________________________________ >