[gmx-users] heat up the system

[David]

On Fri, 2003-02-14 at 21:13, Juntao Guo wrote:
> Dear all,
> 
>  Does anyone know how to heat the system up slowly from 0 to 300k?
> Thanks.
this question was just on  the list the other day.
Just put a negative time for zero_temp_time in the mdp file.
(it will warm up indefinetely though, so stop the simulation when you
get there)
> 
> JT  
> 
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell and Molecular Biology
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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