[gmx-users] Question about confining simulations to inert spherical pores

Chester McLester cmclester at gmail.com
Tue Feb 17 04:48:22 CET 2009

I'm interested in setting up a simulation in Gromacs based on a procedure
from an interesting paper.  The paper (available here:
http://tinyurl.com/cp4qbu) describes simulating peptides confined to inert
spherical pores.

I'm not yet an advanced Gromacs user, and so I was hoping someone in the
Gromacs community would be able to mention the steps necessary to build an
inert spherical pore for simulation with Gromacs.

Any help is greatly appreciated!

Best regards,

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