[gmx-users] Twin-range and rcoulomb error

[Gonzalez Fernandez, Cristina]

Dear Gromacs users,


I am trying to perform the NVT equilibration of a lipid in water. According to the manual, for coulombtype=Reaction-Field, rcoulomb must be higher than rlist. Therefore, I have set rcoulomb=1.4, rvdw=1.4 and rlist=0.8 in order to use twin-range schemes. Besides, I have set cut-offscheme=group.

When I try to generate the tpr file, I obtain this error:


rcoulomb must not be greater than rlist (twin-range schemes are not supported)



However, manual explains twin-range and in it is stated that rcoulomb must be higher than rlist for the reaction-field. How can I solve this error?


Thanks in advance,

C.