[gmx-users] Twin-range and rcoulomb error
Gonzalez Fernandez, Cristina
cristina.gonzalezfdez at unican.es
Tue Nov 27 11:25:07 CET 2018
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,
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