[gmx-developers] a quick question about User defined table potential in CVS version

David van der Spoel spoel at xray.bmc.uu.se
Sun Feb 4 09:52:42 CET 2007

xuhui huang wrote:
> Hi All,
> I noticed that in the CVS version the second term for each potential
> in the table is not f''(x) (second serivate of the function). It seems
> that it has been changed to -f'(x) (the force itself). Is this
> correct? Is there any other difference between table function in CVS
> and 3.3.1.
> Thanks
> Xuhui Huang
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It is v, f, that you have to specify. If you check out the cvs manual 
you can see it. (cvs co manual).

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://folding.bmc.uu.se

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