All Categories (1-3 of 3)

1. Total energy in Dreiding

   Q&A|Open | Responses: 1

   I have tested a simple example using Polymer Modeler.

   I found that in the lammps input generated by this module, the minimization parts are divided into 3 steps.

   The epsilon...

   https://nanohub.org/answers/question/1978

2. LAMMPS Data-File Generator

   01 Aug 2017 | | Contributor(s):: Carlos Miguel Patiño, Lorena Alzate-Vargas, Chunyu Li, Benjamin P Haley, Alejandro Strachan

   The LAMMPS Data-File Generator generates LAMMPS data files to perform molecular dynamics simulations in LAMMPS using Dreiding or PCFF force field energy terms

3. LAMMPS structure generator

   01 Nov 2016 | | Contributor(s):: Benjamin P Haley

   Convert a molecular structure file to a LAMMPS data file with force field parameters