ask for help about the input file of lammps

Dear lammps-users,
Thank you very much for your attention. I am a student from Tianjin University, and now I want to consult you some questions.I want to use lammps to fit the L-J parameters of vinyl acetate. Based on the TraPPE-UA force field, only one new pseudo-atom is introduced : CHo=c(SP2). Since the sigma is obtained by fitting the potential surface, just one parameter will be adjustable. first I want to use lammps to calculate the density and the enthalpy of vaporization of vinyl acetate with TraPPE-UA force field. then I will compare the calculation results with experiment. If the deviation is beyond of acceptable error, I will adjust the L-J parameters of CHo=c(SP2) slightly.
But writing the input file of lammps is so difficult for me who knows nothing about compiling. So I take the liberty to ask if you can help me writing the input file. The parameters of TraPPE-UA force field of vinyl acetate is in the accessory.
Thank you very much. I’m looking for your reply.

yours sincerely : Xiaoxiao Guan

towhee_ff_TraPPE-UAn (7.17 KB)

Dear lammps-users,
     Thank you very much for your attention. I am a student from Tianjin
University, and now I want to consult you some questions.
I want to use lammps to fit the L-J parameters of vinyl acetate. Based
on the TraPPE-UA force field, only one new pseudo-atom is introduced :
CHo=c(SP2). Since the sigma is obtained by fitting the potential surface,
just one parameter will be adjustable. first I want to use lammps to
calculate the density and the enthalpy of vaporization of vinyl acetate with
TraPPE-UA force field. then I will compare the calculation results with
experiment. If the deviation is beyond of acceptable error, I will adjust
the L-J parameters of CHo=c(SP2) slightly.
But writing the input file of lammps is so difficult for me who knows
nothing about compiling. So I take the liberty to ask if you can help me

writing input files has nothing to do with compiling.

writing the input file. The parameters of TraPPE-UA force field of vinyl
acetate is in the accessory.

please consult with a more experienced colleague. the kind of advice
you are looking for is difficult to give via a mailing list, and much
more easy to obtain through talking to your colleagues and peers in
person.

axel.