From owner-nwchem-users@emsl.pnl.gov Wed Jul 7 12:04:03 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 i67J43HQ010070 for ; Wed, 7 Jul 2004 12:04:03 -0700 (PDT) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.12.10/8.12.10/Submit) id i67J434h010069 for nwchem-users-outgoing; Wed, 7 Jul 2004 12:04:03 -0700 (PDT) Date: Wed, 07 Jul 2004 12:04:01 -0700 From: "Valiev, Marat" Subject: RE: watching .trj (trajectorty file) generated with NWChem in VMD To: Nilmadhab Chakrabarti , nwchem-user Message-id: <42C7E766869C42408F0360B7BF0CBD9B03E480@pnlmse27.pnl.gov> MIME-version: 1.0 X-MIMEOLE: Produced By Microsoft Exchange V6.5.6944.0 Content-type: text/plain; charset=US-ASCII Thread-Topic: watching .trj (trajectorty file) generated with NWChem in VMD Thread-Index: AcRkVHNRzBUIhpTjSwOqJk3hNy7xigAADYwA Content-class: urn:content-classes:message X-MS-Has-Attach: X-MS-TNEF-Correlator: X-OriginalArrivalTime: 07 Jul 2004 19:04:02.0117 (UTC) FILETIME=[2A7ED750:01C46455] Content-Transfer-Encoding: 8bit X-MIME-Autoconverted: from quoted-printable to 8bit by odyssey.emsl.pnl.gov id i67J42HQ010064 Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk Nilu, The format of trj files is incompatible with VMD. The easiest solution would be to use ECCE to view them. Marat Valiev Pacific Northwest National Lab P.O. Box 999 / MS K8-91 Richland, WA 99352 E-mail: Marat.Valiev@pnl.gov Phone: (509) 376-2514 Fax: (509) 376-0420 -----Original Message----- From: owner-nwchem-developers@emsl.pnl.gov [mailto:owner-nwchem-developers@emsl.pnl.gov] On Behalf Of Nilmadhab Chakrabarti Sent: Wednesday, July 07, 2004 11:58 AM To: nwchem-user; nilu@sickkids.ca Subject: watching .trj (trajectorty file) generated with NWChem in VMD 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