[gmx-users] genion error

[Hiromichi Tsurui]

Dear Gromax users;


I want to neutralize my system consisting of a protein and spc water
molecules. After I determined the charge to neutralize using grompp (the
system has -14), I entered as follows;

genion -s topol.tpr -c confout.gro -np 14
then appeared 


Select a continuous group of solvent molecule

Opening a library file /usr/local/gromacs/share/top/aminoacids.dat

Group 0 ( System) has 92736 elements

Group 1 ( Protein) has 4035 elements

Group 2 ( Protein-H) has 3144 elements

.

.

.

.

.

Group 13 ( Other ) has 88701 elements

Select a group:


However, after I entered 0, error message appeared,


Fatal error : Your solvent group size (92736) is not a multiple of 11


When I entered 1,

Fatal error : Your solvent group size (4035) is not a multiple of 11


When I entered 2,

Fatal error : The solvent group is not continuous: index[1]=1,
index[2]=5


When I entered 3,

Fatal error : The solvent group is not continuous: index[1]=5,
index[2]=14


When I entered 4,

Fatal error : The solvent group is not continuous: index[1]=1,
index[2]=5


and so on.

How shold I neutralize the system ?


Thank you for your cooperation.