[gmx-users] About DPPC and DPPS bilayer
quantrum75 at yahoo.com
Sun Sep 18 06:42:59 CEST 2005
If you have the configuration files, i think the best
way to mix the two constituents is to use the VMD
program to build the bilayer from scratch (You can get
that information from the mailing list), that way you
can position the molecules in the way you want and
need not worry about any steric clashes.
Then the procedure is to equilibriate the bilayer and
the run the MD. I am still stuck in the equilibriation
stage, so i can be of little help with equilibriation
Let me know if you have more doubts.
--- Viswanadham Sridhara <muta.mestri at gmail.com>
> Hi GMX users,
> I have seen people working either on DPPC bilayer or
> on DPPS bilayer, and
> the co-oridinates of the initial configuration are
> easy to access from
> Dr.Tielman's website or other sources online. But
> does anyone know where to
> get the initial configuration files for DPPC +DPPS
> mixture( bilayer ).
> I have seen few journal publications of mixed
> bilayer of DPPC and DPPS, but
> I was wondering whether there is any easy way to mix
> them if we have the
> DPPC and DPPS configuration files separately.
> Best Regards and Thanks in advance!
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