[gmx-users] Potential shift

[Alexander Alexander]

Dear GMX users,

Does anybody know why the "Potential shift: LJ r^-12: 0.000e+00 r^-6:
0.000e+00" is written in my case.log file in spite of using LJ(6-9) in my
calculations?


Table routines are used for coulomb: TRUE
Table routines are used for vdw:     TRUE
Cut-off's:   NS: 1   Coulomb: 1.26   LJ: 1.26
System total charge: 0.000
Read user tables from table.xvg with 1201 data points.
Tabscale = 500 points/nm
Potential shift: LJ r^-12: 0.000e+00 r^-6: 0.000e+00


Best regards,
Alex