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

xuhui huang xuhuihuang at gmail.com
Sun Feb 4 09:39:19 CET 2007


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



More information about the gromacs.org_gmx-developers mailing list