&FORCE_EVAL METHOD FIST &MM &FORCEFIELD &SPLINE EPS_SPLINE 1.0E-8 EMAX_SPLINE 300000.0 &END &CHARGE ATOM Na CHARGE 1.0 &END CHARGE &CHARGE ATOM Cl CHARGE -1.0 &END CHARGE &NONBONDED &LENNARD-JONES atoms Na Cl EPSILON [kcalmol] .0838 SIGMA [angstrom] 3.63 RCUT [angstrom] 11.4 &END LENNARD-JONES &LENNARD-JONES atoms Na Na EPSILON [kcalmol] 0.0469 SIGMA [angstrom] 2.7275 RCUT [angstrom] 11.4 &END LENNARD-JONES &LENNARD-JONES atoms Cl Cl EPSILON [kcalmol] 0.150 SIGMA [angstrom] 4.54 RCUT [angstrom] 11.4 &END LENNARD-JONES &END NONBONDED &END FORCEFIELD &POISSON &EWALD EWALD_TYPE spme ALPHA .3 GMAX 12 O_SPLINE 6 &END EWALD &END POISSON &END MM &SUBSYS &CELL ABC 12.4138 12.4138 12.4138 &END CELL &COORD Na 0.0 0.0 0.0 NAP Cl MYDIST 0.0 0.0 CLM &END COORD &COLVAR &DISTANCE ATOMS 1 2 &END DISTANCE &PRINT &END &END COLVAR &TOPOLOGY CONNECTIVITY GENERATE &GENERATE BONDLENGTH_MAX 7 &END &END &END SUBSYS &END FORCE_EVAL &GLOBAL PROJECT NACL-MYDIST RUN_TYPE ENERGY &END GLOBAL