[gmx-users] Assertion failed: Condition: ic->coulomb_modifier == eintmodEXACTCUTOFF

[Kangxin LIU]

Hi,
I am using Gromacs 2018.6 to run a simulation of dppc lipids and the input file is as follows.
26 cutoff-scheme       = Verlet
27 verlet-buffer-tolerance = -1        ; set rlist manually
28 nstlist             = 10
29 ns-type             = grid
30 pbc                 = xyz
31 rlist               = 1.4           ; nm
32 
33 coulombtype         = Reaction-Field-zero
34 epsilon-rf          = 035 epsilon-r           = 15
36 rcoulomb-switch     = 0
37 rcoulomb            = 1.2
38 
39 vdwtype             = Cut-off
40 vdw-modifier        = Potential-switch
41 rvdw-switch         = 0.9
42 rvdw                = 1.2
43 DispCorr            = no
 
I successfully got tpr file but failed in mdrun command. The error is as follows,
Program:     gmx mdrun, version 2018.6
Source file: src/gromacs/mdlib/forcerec.cpp (line 2653)
Function:    void init_forcerec(_IO_FILE *, const gmx::MDLogger &, t_forcerec *, t_fcdata *, const t_inputrec *, const gmx_mtop_t *, const t_commrec *, float (*)[3], const char *, const char *, const t_filenm *, const gmx_hw_info_t &, const gmx_device_info_t *, int, float)

Assertion failed:
Condition: ic->coulomb_modifier == eintmodEXACTCUTOFF
With the group scheme RF-zero needs the exact cut-off modifier

Best Regards,
Kangxin LIU