[gmx-users] position restrains while pull simulation
shivangi.nangia at gmail.com
Sat Sep 27 06:10:24 CEST 2014
I am doing a pull simulation in CG MARTINI and following the tutorial:
My systems contains POPC and cardiolipin (grouped as Lipid in index file),
protein, water and ions.
I want to position restrain the Lipid.
I used genrestr to create an .itp for the lipid (both popc and cardiolipin
I included the following at the end of both cardiolipin and popc respective
In my .mdp file I included:
define = -DPOSRES_popc_card
I was able to successfully compile and generate .tpr file to do the pull
I noticed that after the pull, the lipid beads are also getting
"drained/stretched" along with the protein.
Could you please guide as to why this may be happening even though I have
the restrains on.
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