Dear Axel,
I am using the msi2lammps Tool. I found CVFF.frc have equivalence and auto_equivalance. I am not familiar with the code of msi2lammps, and my question is if the code consider both the equivalence and auto_equivalance or not, when a parameter of force field is missing. Thank you!
Best wishes!
D. Chai
Dear Axel,
I am using the msi2lammps Tool. I found CVFF.frc have equivalence and auto_equivalance. I am not familiar with the code of msi2lammps, and my question is if the code consider both the equivalence and auto_equivalance or not, when a parameter of force field is missing. Thank you!
I didn’t write msi2lmp and am not familiar with cvff or msi software, so I cannot answer that question. The answer has to be in the source code…
Or you have to make some tests…