[gmx-users] Invalid order for directive defaults

Daniele Veclani danieleveclani at gmail.com
Thu Dec 10 16:49:48 CET 2015

Dear Gromacs Users

I'm trying to study a molecule (my solute) in methanol as solvent.

For my solute I use Charmm27 ff, while for methanol I want to use opls/aa

I do this beacuse methanol is already implemented in opls force field.

My .top file is:
#include "charmm27.ff/forcefield.itp"

#include "charmm27.ff/nor-antib.itp"

#include "oplsaa.ff/forcefield.itp"

#include "oplsaa.ff/methanol.itp"

[ system ]
; Name

[ molecules ]
; Compound        #mols
MET              1000
nor-antib        1

But when I star groomp program I get this error:
"Fatal error:
Syntax error - File forcefield.itp, line 18Last line read:'[ defaults ]'
Invalid order for directive defaults

I looked at the manual and in website at
I can't fix the problem.

Could you help me?

I use gromacs  5.0.4

Best regards

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