msi2lmp tool error

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1

hi,there

i am using msi2lmp tool to produce a new data file for lammps whose model has over 10000 water molecules . is that water molecules number too big to produce the right result?

Attached is a shot of screen-log data

with best wishes !

yours stephen.

捕获.JPG

2

hi,there

i am using msi2lmp tool to produce a new data file for lammps whose model
has over 10000 water molecules . is that water molecules number too big to
produce the right result?

hard to tell. what is obvious is only, that you are not using the
latest version of msi2lmp. please update and try again.

axel.

3

thanks，i update the tool and it works now!