README file for the conversion of the downloaded PDB file to CHARMM coordinate file. Step 1: The example pdb file has ten structures for the RNA. Extract the first set of coordinates and create a file (rr_1.pdb) Step 2: Use the following command to delete the hydrogens. Hydrogens will be added when generating the RNA using CHARMM. awk '{if ($3!~/H/) print}' rr_1.pdb > rr_1_noh.pdb Step 3: Compile the FORTRAN code (conv_pdb_charmm_prot.f) and execute You will read "Give input PDB files, output will be .crd" Type the pdb file name (rr_1_noh.pdb). The CHARMM coordinate file will be rr_1_noh.pdb.crd Step 4: In the crd file the following modifications are to be done to be read by CHARMM. Replace * by ' in the atom names (use the command ":g/* /s//' /g" in vi) Replace G by GUA (use the command ":g/ G /s//GUA /g" in vi) Replace A by ADE Replace C by CYT Replace U by URA Use the resulting in the rr_gen.inp script.