[gmx-users] cg error

David van der Spoel spoel at xray.bmc.uu.se
Tue Feb 10 16:18:00 CET 2004


On Tue, 2004-02-10 at 16:24, Xavier Periole wrote:
> Sounds like I can't help you !! Perhaps a bug ??
> Other people should know about it !!

In 3.2 you add
define = -DFLEXIBLE

to the mdp file

> 
> XAvier
> 
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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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