[gmx-users] calculation of angle between two groups

niaz poorgholami poorgholami at gmail.com
Thu Jul 26 15:48:13 CEST 2012

Dear Mark
thank you for your concern.when I tried the g_sgangle program
it gave me
Fatal error:
Something wrong with contents of index file.
the index file was the one I used during the simulation and I made that
with this command:
make_ndx -f em.gro -o index.ndx
and the groups for temperature couplig was
 tc-grps		= MOL_LIG Water_and_ions
it means that I coupled carbon nanotube(MOL) and surfacatnt(LIG) together.
I would be really pleased if you could help me.
Best regards

More information about the gromacs.org_gmx-users mailing list