;; ;; Generated by CHARMM-GUI (http://www.charmm-gui.org) v1.7 ;; ;; psf2itp.py ;; ;; Correspondance: ;; j712l362@ku.edu or wonpil@ku.edu ;; ;; The main GROMACS topology file ;; ; Include forcefield parameters #include "oplsaa.ff/forcefield.itp" #include "ffmod_azo.itp" #include "diazo-trans.itp" #include "diazo-cis.itp" #include "oplsaa.ff/tip4p.itp" #include "oplsaa.ff/ions.itp" [ system ] ; Name Diazo-trans [ molecules ] ; Compound #mols AZT 29 AZC 91 SOL 109773 BR 120