[gmx-users] simulated annealing!

David van der Spoel spoel at xray.bmc.uu.se
Fri Jan 16 13:18:01 CET 2004


On Fri, 2004-01-16 at 12:51, Stud_Psychopharm wrote:
> Dear All,
> I am new to gromacs, pls tell me how to start simulated annealing by 
> using gromacs.
two extra parameters in the mdp file. Check the online documentation.
> thanks in advance.
> regs,
> blaise m costa
> 
> ------------------------------------------------------------
> "The more we learn the more we realize how little we know." - 
> R.Buckminster Fuller 
> 
> Blaise M.
> Graduate Student,
> Department of Psychopharmacology,
> National Institute of Mental Health And Neuro Sciences (NIMHANS),
> Bangalore-560029,
> India. Tel: 91 80 6995112.
> 
> 
> -----Original Message-----
> From: "hernan ahumada" <herguahu at icaro.dic.uchile.cl>
> To: <gmx-users at gromacs.org>
> Date: Wed, 14 Jan 2004 15:11:05 -0300
> Subject: [gmx-users] Cesium vdw parameters
> 
> > Hi Everyone:
> > I am looking for the Cs c6 and c12 parameters for the
> > van der Waals for gromacs
> > Thanks
> > 
> > Hernan
> 
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assist. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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