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Hi Anirban,<br>
Use g_hbond with -g option.<br><br>-) Osmair<br><br><hr id="stopSpelling">Date: Thu, 14 Jan 2010 13:54:09 +0530<br>From: reach.anirban.ghosh@gmail.com<br>To: gmx-users@gromacs.org<br>Subject: [gmx-users] Finding H-Bond donor-acceptor pairs<br><br>Hi ALL,<div><br></div><div>I was just wondering if GROMACS has any tool to list out the hydrogen bond donor-acceptor pairs (in terms of residue names/numbers) throughout a MD simulation, say 10 ns. Can g_hbond be used to do this or is there any other command/method?</div>
<div>Any suggestion is welcome.</div><div><br></div><div>Regards,</div><div><br></div><div>Anirban</div> <br /><hr />O Pedro tem 25 Gb grátis de armazenamento na web. Quer também? <a href='http://www.eutenhomaisnowindowslive.com.br/?utm_source=MSN_Hotmail&utm_medium=Tagline&utm_campaign=InfuseSocial' target='_new'>Clique aqui.</a></body>
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