Hi Lammps users,
When I use msi2lmp tools, I get cannot open the .car file
How to fix it?
My .car file and .mdf file is in D:\simulation\SIMULATION\input-to-lammps
Have set the MSI2LMP_LIBRARY too.
D:\simulation\SIMULATION\input-to-lammps>msi2lmp.exe -gaussian -c II -f cff91
Forcefield: Class II
Forcefield file name: C:\Program Files\LAMMPS 64-bit 20160322\frc_files;C:\Prog
ram Files\LAMMPS 64-bit 20160408\frc_files\cff91.frc
Output is recentered around geometrical center
Output contains style flag hints
System translated by: 0 0 0
Reading car file: -gaussian.car
Cannot open -gaussian.car
Thanks,
Subashini.K
Hi Lammps users,
When I use msi2lmp tools, I get cannot open the .car file
How to fix it?
My .car file and .mdf file is in D:\simulation\SIMULATION\input-to-lammps
Have set the MSI2LMP_LIBRARY too.
D:\simulation\SIMULATION\input-to-lammps>msi2lmp.exe -gaussian -c II -f
cff91
Forcefield: Class II
Forcefield file name: C:\Program Files\LAMMPS 64-bit
20160322\frc_files;C:\Prog
ram Files\LAMMPS 64-bit 20160408\frc_files\cff91.frc
Output is recentered around geometrical center
Output contains style flag hints
System translated by: 0 0 0
Reading car file: -gaussian.car
Cannot open -gaussian.car
so what *is* the name of your .car file?
the command line you used signals msi2lmp, that it would be
-gaussian.car, but that is obviously not the case. hence the error.
PEBCAC!
please study the README file for msi2lmp again
axel.