[gmx-users] Acceleration Line

[David]

On Fri, 2003-11-07 at 03:13, Albert Sun wrote:
> Dear Users,
> 
> I found that accelerate line did not work when mdrun.
> 
> In these mdruns, I did not apply pressure coupling, and temperature
> coupling.
> 
> I tested 4 accelerate values respectively from 1.0e-5,  1.0,  1.0e10 
> to 1.0e+25 for whole system.
> 
> the system has no movement.
> 
> Do you think it is right?
you probably are removing the center of mass motion
units are MD units (chapter 2)
> 
> Thanks
> 
> Albert
> 
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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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