Dear All users,
Maybe my question is not mailing list’s concern. I want to use COMPASS force field in lammps when I searched the mailing list for finding some notations I realized if that post is true, we are not allowed to use this force field parameters free of charge and it belongs to Accelrys. I do not have any license to use its products. It means I am not allowed to use the COMPASS force field in lammps?
Parts of COMPASS have been published, and I think a .frc file with the published portions is included with LAMMPS. Since it is published, you may use that part of COMPASS. The proprietary version is encrypted so there is no access to the parameters anyway, and the license agreement presumably forbids distributing the parameters or reverse engineering what they actually are.
Dear Dr.Saxe,
Thank you very much for your reply.
I contacted that company and consulted with them and then they told me there is no restriction from Accelrys. Yes, I am familiar with .frc file.