[gmx-developers] Dimer Simulation Help

[Roland Schulz]

Hi,

don't send user questions to the developer list!

Roland

On Tue, May 8, 2012 at 9:11 PM, Prakash Chapain <pchapain at gmail.com> wrote:

>  Hello,
>
> I am very new to GROMACS and needed some help with simple MD simulations.
> I have amyloid beta peptide (pdb code 1IYT) monomer that I need to place
> side by side in a water box, energy minimize and run the simulation. I have
> problems putting them together and creating the new necessary files for the
> simulation. I can work it out for a single peptide in a solvated system but
> can't figure out how to run the simulations for both together to see any
> β-sheet/dimer formation.
> Please help and be as detailed as possible as I am very new to GROMACS.
> I found an exact similar situation as mine on a thread which is listed
> below, but even following the thread did not provide the needed help:
> http://lists.gromacs.org/pipermail/gmx-users/2007-September/029541.html
>
> Thanks, Prakash.
>
>
>


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