Please keep all Gromacs-related correspondence on the gmx-users list. I am not
a private help service. I am CC'ing the message there; please continue any
discussion via the forum.
Creating a lipid bilayer is not a particularly easy task. You can generate a
leaflet by replicating the coordinates of one lipid molecule in the x-y plane
using genbox, then create the facing leaflet by rotating the existing leaflet
using editconf. Concatenate the files and you have yourself a bilayer (which
will need extensive equilibration, of course). Adding water is trivial with genbox.
-Justin
praba vathy wrote:
Dear Sir,
I want to create a lipid bilayer in which protein is inserted and on
the top of insertion i need to put the water molecules and then at the
bottom as well. I don't understand that how to place the
molecules using Gromacs. Please give suggestions.
Regards,
Prabha. K
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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