This optional keyword controls apolar force output. Its syntax is calcforce {flag}flag is a string that specifies the types of force values to be returned:no (Deprecated) Don't calculate any forces total Calculate and return total apolar forces for the entire molecule comps Calculate and return total apolar forces for the entire molecule as well as force components for each atom. Note that this option must be used consistently for all calculations that will appear in subsequent PRINT statements. For example, if the statement print force 1 - 2 endflag. |