diff --git a/doc/improper_class2.html b/doc/improper_class2.html index cb7ec916855cc4ccac12bca305c417db3f8466ce..2a4e0408c3016da1172e82ca4f7373366da58e34 100644 --- a/doc/improper_class2.html +++ b/doc/improper_class2.html @@ -44,9 +44,9 @@ theta2, theta3 are the equilibrium positions of those angles. Again, atom J (the 2nd atom in the quadruplet) is the atom of symmetry in the theta angles, since it is always the center atom. </P> -<P>Note that defining 4 atoms to interact in this way, does not mean that -bonds necessarily exist between I-J, J-K, or K-L, as they would in a -linear dihedral. +<P>Since atom J is the atom of symmetry, normally the bonds J-I, J-K, J-L +would exist for an improper to be defined between the 4 atoms, but +this is not required. </P> <P>See <A HREF = "#Sun">(Sun)</A> for a description of the COMPASS class2 force field. </P> diff --git a/doc/improper_class2.txt b/doc/improper_class2.txt index ed211de0e769db1a38b3215529f51a08a84c0096..e7742046cf2e8edcc48105094fccb5593f79e79b 100644 --- a/doc/improper_class2.txt +++ b/doc/improper_class2.txt @@ -41,9 +41,9 @@ theta2, theta3 are the equilibrium positions of those angles. Again, atom J (the 2nd atom in the quadruplet) is the atom of symmetry in the theta angles, since it is always the center atom. -Note that defining 4 atoms to interact in this way, does not mean that -bonds necessarily exist between I-J, J-K, or K-L, as they would in a -linear dihedral. +Since atom J is the atom of symmetry, normally the bonds J-I, J-K, J-L +would exist for an improper to be defined between the 4 atoms, but +this is not required. See "(Sun)"_#Sun for a description of the COMPASS class2 force field. diff --git a/doc/improper_cvff.html b/doc/improper_cvff.html index 665b3969fd379fe6b0d5131181e8e73a18143dae..dedef21f2e4cf383e300a2f8e4e50d4bfb8a5a34 100644 --- a/doc/improper_cvff.html +++ b/doc/improper_cvff.html @@ -40,7 +40,8 @@ the other 3 atoms. </P> <P>Note that defining 4 atoms to interact in this way, does not mean that bonds necessarily exist between I-J, J-K, or K-L, as they would in a -linear dihedral. +linear dihedral. Normally, the bonds I-J, I-K, I-L would exist for an +improper to be defined between the 4 atoms. </P> <P>The following coefficients must be defined for each improper type via the <A HREF = "improper_coeff.html">improper_coeff</A> command as in the example diff --git a/doc/improper_cvff.txt b/doc/improper_cvff.txt index 6e4d0673cddab9adf9de88ff71c692df63b9e510..b58dd83382c2453fa341a7b72398ad55122a5e7b 100644 --- a/doc/improper_cvff.txt +++ b/doc/improper_cvff.txt @@ -37,7 +37,8 @@ the other 3 atoms. Note that defining 4 atoms to interact in this way, does not mean that bonds necessarily exist between I-J, J-K, or K-L, as they would in a -linear dihedral. +linear dihedral. Normally, the bonds I-J, I-K, I-L would exist for an +improper to be defined between the 4 atoms. The following coefficients must be defined for each improper type via the "improper_coeff"_improper_coeff.html command as in the example diff --git a/doc/improper_harmonic.html b/doc/improper_harmonic.html index bf4e0c06f2076d28a6c7dd13aed2acd935c20b53..5d3604c10d57dc28e5659121e2b518413394eb87 100644 --- a/doc/improper_harmonic.html +++ b/doc/improper_harmonic.html @@ -38,12 +38,14 @@ is with respect to the other 3 atoms. </P> <P>Note that defining 4 atoms to interact in this way, does not mean that bonds necessarily exist between I-J, J-K, or K-L, as they would in a -linear dihedral. +linear dihedral. Normally, the bonds I-J, I-K, I-L would exist for an +improper to be defined between the 4 atoms. </P> -<P>The following coefficients must be defined for each improper type via the -<A HREF = "improper_coeff.html">improper_coeff</A> command as in the example above, or in -the data file or restart files read by the <A HREF = "read_data.html">read_data</A> -or <A HREF = "read_restart.html">read_restart</A> commands: +<P>The following coefficients must be defined for each improper type via +the <A HREF = "improper_coeff.html">improper_coeff</A> command as in the example +above, or in the data file or restart files read by the +<A HREF = "read_data.html">read_data</A> or <A HREF = "read_restart.html">read_restart</A> +commands: </P> <UL><LI>K (energy/radian^2) <LI>X0 (degrees) diff --git a/doc/improper_harmonic.txt b/doc/improper_harmonic.txt index 20d98edbaeaead23fa49f76e97489c9fb429bb12..c1170edb270e4e47cf5f072b793a8b9efcc1af72 100644 --- a/doc/improper_harmonic.txt +++ b/doc/improper_harmonic.txt @@ -35,12 +35,14 @@ is with respect to the other 3 atoms. Note that defining 4 atoms to interact in this way, does not mean that bonds necessarily exist between I-J, J-K, or K-L, as they would in a -linear dihedral. - -The following coefficients must be defined for each improper type via the -"improper_coeff"_improper_coeff.html command as in the example above, or in -the data file or restart files read by the "read_data"_read_data.html -or "read_restart"_read_restart.html commands: +linear dihedral. Normally, the bonds I-J, I-K, I-L would exist for an +improper to be defined between the 4 atoms. + +The following coefficients must be defined for each improper type via +the "improper_coeff"_improper_coeff.html command as in the example +above, or in the data file or restart files read by the +"read_data"_read_data.html or "read_restart"_read_restart.html +commands: K (energy/radian^2) X0 (degrees) :ul