unbiased.dat

# restart previous simulation
# RESTART

 # set up two variables for Phi and Psi dihedral angles 
 PCAVARS REFERENCE=plumed_pca_1.pdb TYPE=OPTIMAL LABEL=pca1
# PCAVARS REFERENCE=plumed_pca_2.pdb TYPE=OPTIMAL LABEL=pca2
 PCAVARS REFERENCE=plumed_pca_3.pdb TYPE=OPTIMAL LABEL=pca3
 #
 # Activate metadynamics in phi and psi
 # depositing a Gaussian every 500 time steps,
 # with heig-1ht equal to 12 kJoule/mol,
 # and width 0.35 rad for both CVs. 
 


 # monitor the two variables and the metadynamics bias potential
 PRINT STRIDE=50 ARG=pca1.eig-1,pca3.eig-1 FILE=COLVAR