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