[gmx-users] Add ligand molecules in a lipid bilayer

parto haghighi parto.haghighi at gmail.com
Sun Nov 27 09:23:25 CET 2011

Dear gmx_users,

I am working on lipid/drug molecule system.
I could make the ligand topology by PRODRG and get DMPC.itp from

To add ligand molecule I first changed its coordinate by:
editconf -f drg.gro -o drg_newbox.gro -c -box  6.17600   6.17600   5.50000

then add drg_newbox.gro to my bilayer by:
cat drg_newbox.gro dmpc_whole.gro > system.gro

How can I add 6 ligand molecules in lipid bilayer symmetrically at each
side of membrane?
What is gromacs command to add molecules in bilayer (except editconf)?

Thanks a lot in advance.
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