From owner-nwchem-users Wed Sep 1 09:50:10 1999 Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.8.8+Sun/8.8.5) id JAA22943 for nwchem-users-outgoing; Wed, 1 Sep 1999 09:45:53 -0700 (PDT) Date: Wed, 01 Sep 1999 09:37:43 -0700 From: Larry Fried Subject: Periodic boundary conditions in MD X-Sender: e294474@poptart.llnl.gov To: nwchem-users@emsl.pnl.gov Message-id: <3.0.5.32.19990901093743.00c422a0@poptart.llnl.gov> MIME-version: 1.0 X-Mailer: QUALCOMM Windows Eudora Pro Version 3.0.5 (32) Content-type: text/plain; charset="us-ascii" Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk Does anyone know how to specify periodic boundary conditions for NWARGOS for systems with no solvent ? Right now we are editing the .rst file by hand, but it would be nice if there were a cleaner way. Larry Fried Lawrence Livermore National Laboratory