[gmx-users] force in force.c

Nguyen Hoang Phuong phuong at theochem.uni-frankfurt.de
Wed Nov 17 15:30:19 CET 2004

Dear All,

in force.c, the forces in the array f[i][j] and fr->fshift[i][j] which are
computed just before calc_bonds call are the sum of the nonbonded forces?
I mean that does this forces correspond to the derivative of the sum of
the nonbonded potential (*grps->estat.ee[egLJ14] + *grps->estat.ee[egLJ] +
*grps->estat.ee[egCOUL] + *grps->estat.ee[egCOUL14])?



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