Long range electrostatic interation in GCMC

Dear Lammps Users and Developers,
I am using lammps version lammps-15May15
I am trying to insert water into a empty box using gcmc.
Here is my water molecule file.

#LAMMPS data file. msi2lmp v3.9.6 / 11 Sep 2014 / CGCMM for MethaneCVFF

3 atoms

2 bonds

1 angles

Coords

1 1 1 1

2 1 2 1

3 1.9428 0.67 1

Types

1 1 # 12

2 2 # 13

3 2 #13

Charges

1 -0.82

2 0.41

3 0.41

Masses

1 15.9994

2 1.007970

3 1.007970

Bonds

1 1 1 2

2 1 1 3

Angles

1 1 2 1 3

Special Bond Counts

1 2 0 0

2 1 1 0

3 1 1 0

Special Bonds

1 2 3

2 1 3

3 1 2

Dear Lammps Users and Developers,
I am using lammps version lammps-15May15

​whenever you use an older version of LAMMPS and run into a problem, you
should first go to:

http://lammps.sandia.gov/bug.html

and see if there are any notes on whether some problems have been fixed
that seem related to your simulation. in this case there are multiple
patches fixing issues related to fix gcmc which means, that it is highly
recommended to upgrade your LAMMPS version to a version that has all
bugfixes included.

axel.

Sorry, I don’t know why my email looks really bad in the mail list . So I just attached here my molecule file and input script.

Tuan.

in300K.lammps (1008 Bytes)

water.txt (502 Bytes)

Dear Axel,

Thank you for your suggestion. I tried the newest lammps-5Oct15 and a newest stable version lammps-10Aug15. I got the same error.

Tuan.