[gmx-users] coarse-grained model of POPC in Martini coarse-grained force field?
x.periole at rug.nl
Wed Apr 7 16:07:53 CEST 2010
POPC lipid is defined in the lipid itp file you'll find on the website.
POPC coordinate file is indeed not present on the website. However,
transforming a DOPC or DPPC coordinate file to a POPC coordinate
file goes only by modifying the central bead name in the first tail for
DOPC or second tail in DPPC to the one of POPC. Then change the
Take a topology of DOPC or DPPC, modify what is needed to make
it be for POPC (basically change the name in it) and then equilibrate
your box ...
It is that easy, isn't it beautiful :))
On Apr 7, 2010, at 2:11 PM, xi zhao wrote:
> I'd like to run simulations with coarse grained model lipid bilayer.
> I can not find the force field for coarse grain POPC lipid or
> equilibrated bilayer coordinates in Martini website. Please help me!
> thank you!
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