[gmx-users] fatal error: The solvent group non-Protein is not continuous
shima_arasteh2001 at yahoo.com
Sat Apr 21 19:17:19 CEST 2012
Dear gmx users,
I am a new user of gromacs.
I solvated my protein in water. Now I want to neutralize the system. I added 2 CL ions to the system but when run the following command, get the fatal error:
# genion -s ions.tpr -o monomer_solv_ions.gro -p topol.top -nname CL -nn 2
fatal error: The solvent group non-Protein is not continuous: index=2, index=237
I searched the mailing list and saw your suggestions about reordering the [ molecules ] section. But how is it? What does it mean? I did not get what to do.
Thanks in advance,
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