LAMMPS WWW Site - LAMMPS Documentation - LAMMPS Mailing List Archives
[lammps-users] Dihedral parameter
[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

[lammps-users] Dihedral parameter


From: Chuanxing Zhan <chuanxingzhan@...16...>
Date: Tue, 8 May 2018 18:03:54 +0000 (UTC)

Dear lammps User,
I used MCCCS towhee to set up the system, and continue to equilibrate in LAMMPS. There are some problems in the data file form Towhee, the first parameter of dihedral is 0. I looked through  all the dihedral style in lammps and the first parameter in dihedral style always represent energy, is there any possible the first parameter of dihedral is 0? What dihedral style that I can find for these parameters is OPLS.
The parameter of dihedral is pasted:
           1  0.0 1 0   0.25000000000000000
           2  0.0 1 0    0.0000000000000000
Is there any one can give me some advice? Any help would be appreciated.

Kerwin