[gmx-users] reaction field

[w.j.schravendijk at students.pharm.uu.nl]

Dear Gromacs users,

I would like to use the (General) Reaction Field method, while I want to
study a polypeptide with a net charge of +6,

However, filling in :

coulombtype              = Reaction-Field

in my mdrun.mdp will make the program crash instantly with:

Fatal error:
t = 0.002 ps: Water molecule starting at atom 13619 can not be settled.
Check for bad contacts and/or reduce the timestep.

For the generalized reaction field I get the same story.
Any ideas of how I could solve this?

Greetings, Pim