Recently, I have been studying the dynamic properties of theromplastic polyurethane elastomer in the molecular level with the help of lammps. However, when the molecular arcitecture modeled in the Materials Studio with PCFF forcefield was converted into the Lammps by the tool called “msi2lmp”, there appeared some error information, such as“Unable to find bondbond data for cp c2 cp, Unable to find bondangle data for cp c2 cp”, etc. Could anyone tell me how I can get the complete pcff forcefield datafile? I'd really appreciate it if you give me any advice or tutorials.
Hello. Please try the link below.
https://www.researchgate.net/deref/https%3A%2F%2Fgithub.com%2Flammps%2Flammps%2Ftree%2Fmaster%2Ftools%2Fmsi2lmp%2Ffrc_files
Maybe you can find the missing data.
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