[gmx-users] which chain to select for MD simulation

bipin singh bipinelmat at gmail.com
Fri Jul 8 08:52:01 CEST 2011


My protein have two identical chains A and B and the backbone rmsd between
the two chains is 0.33A.
My problem is that how to select(on what basis) one chain out of the two for
md simulation, whether the selection of one of the two
chains(A or B) will make any differences to the final results.

Bipin Singh
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