[gmx-users] Pull-Code: Harmonic potential

[mn2 at hw.ac.uk]

Hi David,

Thank you very much. I will, in the mean time, try to understand and hack 
harmonic routine in bondfree.c.

With best regards,

Abu

On Mon, 28 Mar 2005 19:38:09 +0200, David <spoel at xray.bmc.uu.se> wrote:

> 
> > It's giving me the following error message (when reference_group
> left 
> > balnk):
> > 
> > Fatal error: Need to specify at least group_1 and
> reference_group
> > 
> > When I put reference_group = HOH, it works fine. But according to
> manual, 
> > leaving blank of reference_group means applying harmonic potential
> with 
> > reference to absolute coordinate.
> > 
> Then I can't help you. Maybe some off the pulling experts can have
> a
> look ?
> 
> -- 
> 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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