[gmx-users] No G96Bond??

David spoel at xray.bmc.uu.se
Wed Aug 25 20:59:14 CEST 2004


On Wed, 2004-08-25 at 20:38, Sekwan Oh wrote:
> Hi,
> 
> Is there any occasion when G96Bond energy is not shown?
> 
> I don't get G96Bond energy which normally comes first when running g_energy.
> 
> Other than this, I get other terms (G96Angle, Proper Dihedral, Improper 
> Dihedral , etc).
> 
> My system is a small peptide molecule solvated in water.
> 
you have used constraints it seems.
> Thanks in advance.
> 
> All the best,
> 
> Sekwan
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. 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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