[gmx-users] em

[David]

On Sat, 2002-12-21 at 17:34, sadhna wrote:
> 
> Dear all,
>          I would like to know how  to do zero step energy-minimisation
> as i want to calculate LJ potential for my protein without any energy
> minimisation.
> 
what happens if you set the number of steps to zero (or one)? You don't
have to do something with the output coordinates
> thanks
> 
> sadhna
> 
> 
> 
> 
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 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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