[gmx-users] where can I download POPC membrane file?
Krzysztof Mlynarczyk
mitomaster at gmail.com
Mon May 30 00:06:24 CEST 2011
Hi,
I just checked with Gromacs 4.5.4 and VMD 1.9:
1. Download charmm36.ff.tgz from Gromacs downloads and unpack to
appropriate Gromacs installation folder {root}/share/gromacs/top or your
working directory.
2. Open VMD, go to Extensions->Modeling->Membrane builder, choose POPC,
force field c36 and membrane size. Generate the membrane.
3. Close VMD and issue command: pdb2gmx -f membrane.pdb -ff charmm36
-water tip3p (-o ... -i ... -p ... if you don't want default names).
Now sky is the limit :)
Good luck,
Christopher
2011/5/29 albert <leuven at yeah.net>
> Dear all:
>
> I would like to use charmm36 and POPC for membrane protein simulation.
> and I am wondering where can I download charmm36 pre-pribriumed POPC PDB and
> topol file for gromacs?
>
> Thank you very much
> Best
>
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