TMA RIGID BODY ANALYSIS


Rigid Body TLS Analysis (Shomaker & Trueblood).

Several calculations are done in this section:


Keyboard instruction: CALC TMA (Rmax) (Atmin) (HINCL) (CARTESIAN)

where:

the Rmax parameter is optional (Default 25%) and determining whether a detailed analysis is done.

the optional HINCL sub-keyword will force Anisotropic H-Atoms included in the analysis.

Example: CALC TMA 40 5 HINCL


GEOMETRY CALCULATION TOOLS PLATON HOMEPAGE
25-Feb-2001 A.L.Spek