# set up two variables for Phi and Psi dihedral angles phi: TORSION ATOMS=5,7,9,15 psi: TORSION ATOMS=7,9,15,17 # # Impose an umbrella potential on CV 1 and CV 2 # with a spring constant of 500 kjoule/mol # at fixed points on the Ramachandran plot # restraint-phi: RESTRAINT ARG=phi KAPPA=100 AT=LAMBDA1 restraint-psi: RESTRAINT ARG=psi KAPPA=100 AT=LAMBDA2 # monitor the two variables and the bias potential from the two restraints PRINT STRIDE=10 ARG=phi,psi,restraint-phi.bias,restraint-psi.bias FILE=COLVAR UPDATE_FROM=50