[gmx-users] recovering a simulation

[David]

On Thu, 2003-02-20 at 21:04, Alan Wilter Sousa da Silva wrote:
> Hi List!
> 
> I recovered a simulation as said at GMX FAQ using tpbconv.
> 
> Things seem to be ok in md.log, but what variable should I have check to
> be sure that the new recovered.tpr file is reading previous velocities and
> not generating random new one?
tpbconv tells you it reads velocities from trr file, and so it does.. Of
course you can check whether energies are continuous etc.
(which they are not completely due to T coupling...)
> 
> Many thanks in advance.
> 
> Cheers,
> 
> -----------------------
> Alan Wilter S. da Silva
> -----------------------
>  Laboratório de Física Biológica
>   Instituto de Biofísica Carlos Chagas Filho
>    Universidade do Brasil/UFRJ
>     Rio de Janeiro, Brasil
> 
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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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