From owner-nwchem-users Mon Jul 30 15:08:18 2001 Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.8.8+Sun/8.8.5) id PAA13756 for nwchem-users-outgoing; Mon, 30 Jul 2001 15:01:41 -0700 (PDT) Date: Tue, 31 Jul 2001 05:03:52 -0500 From: Letizia Barreca Subject: H bonds To: nwchem-users@emsl.pnl.gov Message-id: <3B668288.5D5FD145@adrik.bchs.uh.edu> MIME-version: 1.0 X-Mailer: Mozilla 4.73 [en] (WinNT; U) Content-type: text/plain; charset=us-ascii Content-transfer-encoding: 7bit X-Accept-Language: en,pdf Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk Hi all, I would like to measure during the all trajectory the total number of hydrogen bonds as function of the simulation time. Could someone help me? Thankyou in advance Lety