[gmx-users] [Fwd: Oueries]

[David van der Spoel]

-------- Original Message --------
Subject: 	Oueries
Date: 	Mon, 10 Sep 2007 08:08:40 +0100 (BST)
From: 	Moutusi Manna <mou2c_21 at yahoo.co.in>
To: 	spoel at xray.bmc.uu.se



Hi,
     I have started using GROMACS recently. As per information GROMACS is
the fasted MD pacage . But, when I perform "mdrun" it takes only "1-10%"
of CPU % & as a result job becomes very slow .
     Please suggest how I can increase the speed of simulation .
                              Thanks,

                                                            Moutusi

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-- 
David van der Spoel, Ph.D.
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se