[gmx-users] Including and itp file, for a residue

chris.neale at utoronto.ca chris.neale at utoronto.ca
Sat May 6 01:09:53 CEST 2006

place it in your .top file.

You can make it yourself. Make a file like this: (change the number of mols at
the bottom to reflect what you really have).

If you get a message like "double define statement" then try removing the
lipids.itp include. If you want to add a protein, make a .itp for your protein
and include that in the top file too. Make sure the order DMPC then SOL (or vice
versa) is the same between the .top file and the .gro file

; Include forcefield parameters
#include "ffG43a2x.itp"
; Include topologies
#include "lipid.itp"
#include "dmpc.itp"
#include "spc.itp"
[ system ]
; Name
[ molecules ]
; Compound        #mols
DMPC              340
SOL              6729

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