[gmx-users] problem with genion

[OZGE ENGIN]

Hi gromacs-users,

I have a problem with the simulation of a capped lysine residue.I followed the tutorial step by step. I added 1 Cl ion into my system in order to neutralize the overall charge by using genion, and then used the grompp command and I encountered with the following error:

Program grompp, VERSION 3.3.1
Source code file: toppush.c, line: 891

Fatal error:
moleculetype CU1+ is redefined


What is the problem?

Thanks in advance

Ozge Engin