Magnus Andersson wrote:
Hi all,
I have a .top file of a membrane protein (from an earlier project).
I also managed to generate a .gro file of a simple "membrane" consisting
of Argon atoms, of a certain volume.
Did I get you right that you do not have a structure (.pdb, .gro) of the
protein? As soon as this is solved, use
genbox -cp prot.gro -cs lipid.gro
And make sure that the CRYST lines somehow match, otherwise genbox fills
up the protein box with the membrane.
How can I insert the protein into this membrane? I guess it somehow
involves how to combine the protein .top file and the membrane .gro file I
already have.
(I have tried generating a .top file from the membrane .gro file
(pdb2gmx), doesn't work. It deletes "duplicate atoms".
Can someone give me step-by-step instructions to this problem.
Greatly appreciate your help!
/Magnus
--
************************************************
Jochen Hub
Max Planck Institute for Biophysical Chemistry
Computational biomolecular dynamics group
Am Fassberg 11
D-37077 Goettingen, Germany
Email: jhub[at]gwdg.de
************************************************
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