Dear all,

I'm attempting to obtain the binding energy between water and Pt surface. To this end, I'm follwing the tuturial (Polymer interactions with a metal oxide surface) and built up the layer. Nonethless, towards the endof tutorial for the geometry optimization of the polymer layer I'm getting the error: 

Inconsistencies found in the non-bond energies. Expected: -nan(ind) Found: -nan(ind)
Unable to calculate energy and gradients. 
Geometry optimization finished with an error condition.

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I've added Pt atom type to Dreiding and made use of parameters taken from the tabel attached. This error pops up as I wish to optimize water molecule. All Pt atoms are constrained. 

Could you shed some light on what this error is trying to say. 

Appreciate your comments. 

Serene

---- Geometry optimization parameters ----

Algorithm : Smart
Convergence tolerance:
Energy : 0.001 kcal/mol
Force : 0.5 kcal/mol/A
Maximum number of iterations : 5000
External pressure : 0 GPa
Motion groups rigid : NO
Optimize cell : NO

---- Energy parameters ----

Forcefield : \Dreiding_edited
Charges : Charge using QEq
Electrostatic terms:
Summation method : Ewald
Accuracy : 0.001 kcal/mol
Buffer width : 0.5 A

van der Waals terms:
Summation method : Atom based
Truncation method : Cubic spline
Cutoff distance : 12.5 A
Spline width : 1 A
Long range correction : YES
Buffer width : 0.5 A

Hydrogen bond terms:
Summation method : Atom based
Truncation method : Cubic spline
Cutoff distance : 4.5 A
Spline width : 0.5 A
Buffer width : 0.5 A

Inconsistencies found in the non-bond energies. Expected: -nan(ind) Found: -nan(ind)
Unable to calculate energy and gradients. 
Geometry optimization finished with an error condition.