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Confine proteins within a certain volume


Dear developers,

When using UNRES with multiple chains, is it possible to confine the proteins inside a certain volume?


Hi Martin,

The volume is confined indirectly by setting distchainmax=number, where number is the maximum allowed separation between the C-terminus of the first chain and the N-terminum of the second chain. distchainmax is set in the general-data line; see UNRES manual. The volume is equal to 4*pi/3*(distchainmax)**3