[gmx-users] protein + a single lipid
Mark.Abraham at anu.edu.au
Wed Dec 13 06:55:51 CET 2006
sebastien santini wrote:
> Dear GMX users,
> I am trying to simulate a protein with a single lipid (a leukotrien)
> using ffG43a2.
> I have some problem to generate the right topology and gro files.
> Is there a smart way to use this FF and generate the files or have I to
> do it
> by hand ??
pdb2gmx should work fine with the protein. One lipid molecule shouldn't
be too hard to generate an .itp file for... find one you can use PRODRG
for and modify, perhaps.
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