[gmx-users] Invalid order for directive molecules

Anurag Dobhal anurag.dobhal at nano-medicine.co.in
Fri Nov 11 10:29:17 CET 2016

Dear Gromacs users,

I am running a coarse grained simulation of a polymer using mirtini force
field. I have already made the .ito and .top file but i m getting the
following error.

Fatal error:
Syntax error - File ppp.top, line 24
Last line read:
'[ molecules ]'
Invalid order for directive molecules

How should I write my topol.top file

below are the contents of topol.top

; Include forcefield parameters
#include "./oplsaa.ff/martini_v2.2.itp"
#include "./oplsaa.ff/plgacg.itp"

[ molecules ]
; Compound        #mols
PLGA               1

Looking forward for your help. Thanks and Regards

*Anurag Dobhal*
*Graduate Student (Bioprocess Technology)*
*Institute of Chemical Technology, Mumbai*



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