msi2lmp error

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1

Dear LAMMPS user:

I am using the msi2lmp to generate data file. However, when I try the test examples within the msi2lmp package, it outputs error as below. I didn’t met such problem with an old version (in year 2012), anyone can help to advise what going wrong?

Here is the command I input & the output error message.

Command:

msi2lmp.exe benzene-class2a -class II -frc pcff

output:

Running msi2lmp v3.9.7 / 24 Oct 2015

Forcefield: Class II

Forcefield file name: …/frc_files/pcff.frc

Output is recentered around geometrical center

Output contains style flag hints

System translated by: 0 0 0

Reading car file: benzene-class2a.car

Reading mdf file: benzene-class2a.mdf

Building internal coordinate lists

Reading forcefield file

Get force field parameters for this system

Unable to find mass for h1

Best Regards!

Dai Ling

2

Dear LAMMPS user:

I am using the msi2lmp to generate data file. However, when I try the test
examples within the msi2lmp package, it outputs error as below. I didn’t
met such problem with an old version (in year 2012), anyone can help to
advise what going wrong?

the "class2a" files are typed for use with compass, not pcff. pcff
uses different type names. if you try the same command with a
"class2b" test file, it should work. see the "runtests.sh" file in the
test folder.

axel.