[gmx-users] Invalid order for directive atomtypes-
Atila Petrosian
atila.petrosian at gmail.com
Fri Sep 4 20:51:19 CEST 2015
Dear Justin,
I confused. In your tutorial (protein-ligand) (
http://bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/complex/02_topology.html),
you used the following lines (in my case, I did like you)
; Include Position restraint file
#ifdef POSRES
#include "posre.itp"
#endif
*; Include ligand topology
#include "drg.itp"*
; Include water topology
#include "gromos43a1.ff/spc.itp"
Why I encountered with error?
More information about the gromacs.org_gmx-users
mailing list