ALTER IA newval (nuclear charge of atom IA) IA IB newval (bond length IA-IB) IA IB IC newval (valence angle IA-IB-IC) IA IB IC ID newval (dihedral IA-IB-IC-IC) Examples: ALTER 10 14. [change atom 10 to Si (Z = 14)] ALTER 2 5 1.69 [change R(5-8) bond to 1.69A] ALTER 1 2 3 4 180. [change 1-2-3-4 dihedral angle to 180 degrees] Note that 'ALTER 1 2 3 4 180.' changes ONLY the 1-2-3-4 dihedral (often giving unphysical distorted geometry). Use 'TWIST 1 2 3 4 180.' to form a proper torsional rotamer. Use VFILE to determine which angles can be safely ALTERed. Otherwise, the coordinates may be re-defined, with unexpected effects on other variables.