[gmx-users] cgenff CTAB

xy21hb xy21hb at 163.com
Tue Mar 29 23:40:44 CEST 2016

Dear all,
I am patching cetyltrimethylammonium bromide (ctab) by cgenff for CHARMM36 force field in GROMACS.
However, it always gives the wrong error message, saying that the number of atoms does not match the .top.
I wonder what could be the reason for this problem.
Attached are .mol2 and .str files.
 Many thanks,


More information about the gromacs.org_gmx-users mailing list