Topotools error while reading lammps data file containing CMAP crossterms

LAMMPS LAMMPS Mailing List Mirror
1

Dear Lammps users,

I generated my lammps data file using CHARMM-GUI. When I try to load it in VMD using topotools, it gives me a warning that crossterms is an unknown header term and then gives an error later on when it tries to read the CMAP section. Can anyone help me figure out how to read CMAP crossterms correctly?

Thanks in advance for your time and help,
Madhur Aggarwal
CCNSB, IIIT Hyderabad

2

Dear Lammps users,

I generated my lammps data file using CHARMM-GUI. When I try to load it in VMD using topotools, it gives me a warning that crossterms is an unknown header term and then gives an error later on when it tries to read the CMAP section. Can anyone help me figure out how to read CMAP crossterms correctly?

TopoTools does not support CMAP.

axel.