Dear all,
I built up my protein in lipid bilayer by CHARMM-GUI and now I want to do
equilibration by GROMACS. I know GROMACS can build the system, but my
subsequent production run must be conducted by CHARMM. I want to use
GROMACS to do equilibration cuz it may take long to get it equilibrated.
On 10/21/13 11:14 AM, Zhi Yue wrote:
Dear all,
I built up my protein in lipid bilayer by CHARMM-GUI and now I want to do
equilibration by GROMACS. I know GROMACS can build the system, but my
subsequent production run must be conducted by CHARMM. I want to use
GROMACS to do equilibration cuz
Hi Justin,
Thanks for your advice. I'll try again. Have a wonderful night!
Best
Shane
On Mon, Oct 21, 2013 at 6:51 PM, Justin Lemkul jalem...@vt.edu wrote:
On 10/21/13 11:14 AM, Zhi Yue wrote:
Dear all,
I built up my protein in lipid bilayer by CHARMM-GUI and now I want to do
Dear:
If I have used the charmm-gui to build the bilayer for the receptor-ligand
complex,can I load the outcome to the gromacs to perform MD?Is the process
complicated? How do it? Thanks!
--
gmx-users mailing listgmx-users@gromacs.org
On 13/02/2012 12:15 PM, xiaojiong wrote:
Dear:
If I have used the charmm-gui to build the bilayer for the receptor-ligand complex,can I load the outcome to the gromacs to perform MD?Is the process complicated?
How do it? Thanks!
You can probably write a .pdb coordinate file from any
Dear all,
I would like to simulate my protein in a lipid bilayer using gromacs 4.5.4,
and a forcefield of gromos96. However i don't have the topologies files for
lipid bilayer for POPE and DMPE. Anybody knows where can i get the
topologies file for POPE and DMPE ? Before that, i had actually
There is already tutorial for creating lipid bilayer and insertion of
protein into that for GROMACS
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/membrane_protein/index.html
Why you have used Charmmgui I am not able to understand.
You can get some useful topologies from
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