[gmx-users] energy minimization error

sreelakshmi ramesh sree.lakshmi at research.iiit.ac.in
Sat May 21 09:09:45 CEST 2011


Dear all,
            I am using tabulated potential do simulate nacl in water .when i
was doing my energy minimization it gives me the following error.Any help
please..




WARNING: For the 1498 non-zero entries for table 2 in table_NA_CL.xvg the
forces deviate on average 39% from minus the numerical derivative of the
potential.
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