PDB File for [Bmim][PF6]
PSF File for [Bmim][PF6] :
(a) atom number; (b) segment name; (c) residue number; (d) residue name;
(e) atom name; (f) atom type; (g) partial charge via CHELPG; (h) atomic mass;
Module 4 : A Case Study using Molecular Dynamics with NAMD
Lecture 20 : Input files in NAMD and VMD
PDB File for [Bmim][PF6]
PSF File for [Bmim][PF6] :
(a) atom number; (b) segment name; (c) residue number; (d) residue name;
(e) atom name; (f) atom type; (g) partial charge via CHELPG; (h) atomic mass;