[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?


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