&files -p HID.top -c HID.crd -o cfsamp_I.out &end &configs % Backbone phi and psi sampling GridSample :2@C :3@N :3@CA :3@C { -180.0 180.0 } fbhw 10.0 Krst 64.0, GridSample :3@N :3@CA :3@C :4@N { -180.0 180.0 } fbhw 10.0 Krst 64.0, % Make sure that the backbone does not form hydrogen bonds with itself combine 1 2, count = 64, verbose 1, maxcyc = 5000, strainlim = 20.0, bstrain = 10.0, astrain = 10.0, % Reshuffling nshuffle = 2, shuffle bootstrap, % Output controls outbase 'Conf', 'Conf', write 'cdf', 'pdb', outsuff 'cdf', 'pdb', &end