ERROR: Molecule toplogy/atom exceeds system topology/atom

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1

Dear all,

I am trying to perform gcmc calculations and got the following error,

ERROR: Molecule toplogy/atom exceeds system topology/atom.

I looked in to the previous mailing list and found this can be rectified using create_box. I do not clearly understood this error. Can some one explain (detail) about this error. I use molecule command to define co2 molecule. Please kindly find the attached input files for reference. I am currently using 28JUN14 version of lammps. Thank you very much for your valuable time.

Thanks & regards,

K. Mohan

co2.txt (350 Bytes)

water_box_384_autopsf.data (3 KB)

in.gcmc_1 (916 Bytes)

2

Dear all,
              I am trying to perform gcmc calculations and got the
following error,

ERROR: Molecule toplogy/atom exceeds system topology/atom.

I looked in to the previous mailing list and found this can be rectified
using create_box. I do not clearly understood this error. Can some one

it is the same kind of error than what you had before with atom types.
you don't have reserved enough space for topology data (bonds, angles,
exclusions) for the added molecules when creating the simulation box.
you need to read much more documentation.

i am getting *extremely* tired of telling you the same thing over and
over again. so this is the last time i'll respond on this subject.

axel.