[gmx-users] saving the trajectory at greater time interval

[David]

On Fri, 2003-09-05 at 20:04, Vivek Raut wrote:
> hi,
> 
> i am running the MD simulation with the time interval 'dt' as  0.002 ps (as 
> mentioned in the .mdp files). But the trajectory file is huge in that case. 
> In order to reduce the file size i want gromacs to do all the calculation 
> at same time interval ( 2 fs) , but save the data , say at every 0.1 ps 
> interval.
> 
> how do i do that?
nstxout = 50
> 
> thanks,
> 
> vivek
> 
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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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