logFile leap.log # # ----- leaprc for loading the united atom amber nucleic acid force field # # Load the main parameter set. # parm91 = loadamberparams parm91X.dat # # Load DNA libraries # loadOff rna.amberua.lib # # # Define the PDB name map for the amino acids and DNA. # #addPdbResMap { # { 0 "GUA" "RG5" } { 1 "GUA" "RG3" } # { 0 "ADE" "RA5" } { 1 "ADE" "RA3" } # { 0 "CYT" "RC5" } { 1 "CYT" "RC3" } # { 0 "URA" "RU5" } { 1 "URA" "RU3" } #} # # translate DNA residue names: # GUA = RG CYT = RC URA = RU ADE = RA