[gmx-users] Warning in the Tabulated potential.

[Udaya Dahal]

My potential function is little different from the general LJ and
Buckingham potential. Thus instead creating a single table for
r,f,-f',g,-g',h,-h'; I combined all the potential and made f,-f',h,h'=0 and
put the total potential and their derivatives on g and g'.
 While running the energy minimization I got warning for all tables as
shown below.

WARNING: For the 29958 non-zero entries for table 1 in table_C3_IW.xvg the
forces deviate on average 164% from minus the numerical derivative of the
potential


WARNING: For the 29958 non-zero entries for table 1 in table_C3_OP.xvg the
forces deviate on average 183% from minus the numerical derivative of the
potential

I am not sure if this warning is serious or I can proceed ignoring it. I
hope someone who has used tabulated potential can provide some help on it.

Thank you
Udaya