Re: CCL:Z matrix to cartesian coord. Question



 In general you are correct, no methods require that kind of accuracy.
 However I have found that having the exact same geometry for molecules
 is necessary for comparing results in the same program, or among different
 programs. I know of several cases where the truncation of decimal places
 in file formats can change the results of a calculation, and sometimes
 alter the path of a minimization when the starting structure is not
 close to a minimum.