Changeset 4580 for Tutorials/RigidBody

Timestamp:

Oct 1, 2020 9:49:14 AM (3 years ago)

Author:

toby

Message:

minor tutorial changes

File:

• Tutorials/RigidBody/RigidBodyRef.html (modified) (2 diffs)

Tutorials/RigidBody/RigidBodyRef.html

@@ -1341 +1341 @@
 
 <p class=MsoNormal align=right dir=RTL style='text-align:left;direction:rtl;
-unicode-bidi:embed'><span dir=LTR style='mso-bidi-font-size:14.0pt'>Note that
-ignoring H atom positioning, because the phenyl ring defines the relative
-positions of the 6 component atoms and 3 atoms directly bonded to the ring, and
-since bond distances and angles are well known, this molecule has only four
-torsional degrees of freedom, where rotation is possible around the four bonds
+unicode-bidi:embed'><span dir=LTR style='mso-bidi-font-size:14.0pt'>
+Since the phenyl ring defines a plane for the 6 atoms in the ring, as well as the 3 atoms directly bonded to the ring, and
+since bond distances and angles are well known, the relative
+positions of these atoms are fixed. The positions for the 
+remaining non-H atom can be determined with only 4 additional
+parameters, because rotation is possible around the four bonds
 circled below. </span><span lang=HE style='mso-bidi-font-size:14.0pt;
 font-family:"Times New Roman",serif;mso-ascii-font-family:Calibri;mso-ascii-theme-font:
@@ -1386 +1387 @@
 irregular. Since this distorted structure is not physically reasonable, this
 model is far from optimal. This well-fitting but <span class=GramE>poor quality</span>
-model is due to use of too many parameters, which is sometimes called
+model arises because too many parameters were introduced,
+which is sometimes called
 overfitting. In this tutorial, a better model will be developed using rigid
-bodies for the two molecules. <o:p></o:p></span></p>
+bodies for the two molecules, providing a more chemically reasonable
+representation with fewer parameters -- and a better fit.
+<o:p></o:p></span></p>
 
 <p class=MsoNormal align=right dir=RTL style='text-align:left;direction:rtl;