Hi,
I decided to try the <msi2lmp tool> first. I used it and got the errors below: (My configuration set-up has Cu and C atoms).
It read the atoms' configurations successfully, but have problems with the force field.
(Is there no way to bypass the force field and just convert the atoms' configurations?)
Thanks.
Jide
Command:
msi2lmp exe 'filename' -print 3 -frc cvff.frc
<<<
Number of bonds, types = 0 0
Number of angles, types = 0 0
Number of dihedrals, types = 0 1768320623
Number of out-of-planes, types = 0 0
Reading forcefield file
Using higher version of parameters for #atom_types lp version 1.10
Using higher version of parameters for #atom_types ci version 2.00
Using higher version of parameters for #atom_types Na version 2.10
Item #atom_types has 130 entries
Item #equivalence has 129 entries
Item #nonbond has 45 entries
Item #quadratic_bond has 144 entries
Item #quadratic_angle has 234 entries
Item #torsion_1 has 82 entries
Item #out_of_plane has 36 entries
Get parameters for this molecular system
Try Atom Equivalences if needed
Unable to find mass for CU
Unable to find mass for C
Unable to find equivalent type for CU
Unable to find vdw data for CU
Unable to find equivalent type for C
Unable to find vdw data for C
Segmentation fault