> Dear gromacs users,
>
> Sorry for repeating my question.
>
> I didn't receive any email so I couldn't reply and I missed
>
> them.
Hi,
Justin replied in this mail:
https://mailman-1.sys.kth.se/pipermail/gromacs.org_gmx-users/2019-September/126735.html
Best,
John
>
> I am using following
Dear gromacs users,
Sorry for repeating my question.
I didn't receive any email so I couldn't reply and I missed
them.
I am using following pull code in md simulation
for pulling a ligand across the plasma membrane model.
Ligand passes through the membrane,but along simulation,
the size of
On 9/25/19 5:50 AM, Mahsa Rezaei wrote:
Dear Dr. Warren
Thanks for your response .
I made my protein-membrane system with charmm-gui.
so my force is charmm36.
I used the equilibration input files that charmm-gui provide ,
and run 400 ns simulation for equilibration of my system .
RMSD ,
Dear Dr. Warren
Unfortunately,I missed your reply!
Thanks for your response .
I made my protein-membrane system with charmm-gui.
so my force is charmm36.
I used the equilibration input files that charmm-gui provide ,
and run 400 ns simulation for equilibration of my system .
RMSD ,
Dear Dr. Warren
Thanks for your response .
I made my protein-membrane system with charmm-gui.
so my force is charmm36.
I used the equilibration input files that charmm-gui provide ,
and run 400 ns simulation for equilibration of my system .
RMSD , temperature and pressure is good , so I
Does it do that without using the pull code, i.e. just performing NPT
simulation? What is physically happening? Sounds like the bilayer is
unstable. What forcefield is this?
Catch ya,
Dr. Dallas Warren
Drug Delivery, Disposition and Dynamics
Monash Institute of Pharmaceutical Sciences, Monash
Dear gromacs users,
I am using following pull code in md simulation
for pulling a ligand across the plasma membrane model.
Ligand passes through the membrane,but along simulation,
the size of axis z increases.
My size box is 8.52807 8.52807 14.0.
And the pull distance is less than one-half
