[gmx-users] Gromacs and graphene sheets

[Timothy Click]

My exact command was
g_x2top -f gra.gro -o gra.top -name GRA -nexcl 3 -ff charmm36 -kb 255224 -kt 334.72 -kp 12.9704


Cordially,
柯明 Timothy H. Click, Ph.D.
Department of Biological Science and Technology
Institute of Bioinformatics and Systems Biology
National Chiao Tung University
208 Lab Building 1, 75 Bo-Ai St.
Dong District, Hsinchu, Taiwan 30062
(R.O.C.)
tclick at nctu.edu.tw