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
Re: Confine proteins within 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
Adam