On 27/11/2011 7:23 PM, parto haghighi wrote:
Dear gmx_users,
I am working on lipid/drug molecule system.
I could make the ligand topology by PRODRG and get DMPC.itp from
http://moose.bio.ucalgary.ca/index.php?page=Structures_and_Topologies.
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
Updating the number of atoms and shifting the box line, of course...
How can I add 6 ligand molecules in lipid bilayer symmetrically at
each side of membrane?
Suitable use of editconf options to do translations, or maybe genconf
can achieve this.
What is gromacs command to add molecules in bilayer (except editconf)?
There is none.
Mark
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