[gmx-users] a flat plane boundary condition

Beckett W Sterner bsterner at MIT.EDU
Wed May 25 18:30:12 CEST 2005

  I'm interested in doing a simple simulation of how a protein folds as it
slowly emerges from a pore through a cell membrane.  I unfortunately do
not have a crystal structure for the pore, and would like to keep
computational costs to a minimum, so I'm interested in running an MD
simulation on the protein where one end is fixed to a flat plane with a 2d
periodic boundary condition.  Is there a way to implement this in GROMACS,
perhaps using a force field?


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