VMD-L Mailing List

From: Aaron Oakley (aarono_at_uow.edu.au)
Date: Tue Nov 15 2011 - 20:58:20 CST

Thanks for responses so far.

Just to clarify, we are working on a protein with a flexible
region at the C-terminus. Part of the function involves that
region "reaching out" to interact with another protein.
I would like to know the maximum extent of this reach in
order to set up a periodic box of water molecules with enough room.

Clearly, the maximum reach will be influenced by how much tension is in
the peptide, but I would assume an energy minimised conformation at maximum
extent.

a++