On Wed, 5 Feb 2014 16:14:10 +0200
Gözde YALÇIN <yalcingozde88.gmail.com> wrote:
> Hi,
>
> I would like to implement a MD simulation of a protein embedded in a
> POPC+POPE+Cholesterol lipid bilayer. I was able save a pdb for the
> entire system. I was wondering if it is possible to parameterize
> lipid part of the system in leap using charmm force field. If so,
> does anyone please let me know of how to do that?
You may want to look into the tool 'chamber' and see if you can convert
a ready made psf file to Amber top/crd files. That should be possible
although you may have to find out how to get all necessary CHARMM force
field/topology data into a single rtf and single prm file. From what I
can see cholesterol has it's own stream file.
Cheers,
Hannes.
--
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Received on Wed Feb 05 2014 - 07:30:02 PST
