Marked GBVIForce as deprecated and removed it from the manual

docs-source/usersguide/theory.rst

@@ -497,70 +497,6 @@ its Born radius, and :math:`r_\mathit{solvent}` is the solvent radius, which is
 to be 0.14 nm.
 
 
-
-GBVIForce
-*********
-
-The GBVI force is an implicit solvent force based on an algorithm developed by
-Paul Labute.\ :cite:`Labute2008` The GBVI force is currently undergoing
-testing to validate that it is correctly implementing the algorithm. The GBVI
-energy is given by Equation 2 of the referenced paper:
-
-
-.. math::
-   E=-\frac{1}{2}\left(\frac{1}{{\epsilon }_{\mathit{solute}}}-\frac{1}{{\epsilon }_{\mathit{solvent}}}\right)\sum _{i,j}\frac{{q}_{i}{q}_{j}}{{f}_{\text{GB}}\left({d}_{ij},{R}_{i},{R}_{j}\right)}+\sum _{i}^{n}{\gamma }_{i}{\left(\frac{{r}_{i}}{{R}_{i}}\right)}^{3}
-
-
-where the indices *i* and *j* run over all n particles, :math:`\epsilon_\mathit{solute}`
-and :math:`\epsilon_\mathit{solvent}` are the dielectric constants of the solute
-and solvent respectively, :math:`q_i` is the charge of particle *i*\ ,
-:math:`d_{ij}` is the distance between particles *i* and *j*\ , :math:`r_i`
-are the input particle radii, and the :math:`\gamma_i` are adjustable
-parameters. :math:`f_\text{GB}(d_{ij}, R_i, R_j)` is
-defined as above (Section :ref:`gbsaobcforce`) for the GBSAOBCForce. The Born radii, :math:`R_i`, are defined by the equation
-
-
-.. math::
-   {R}_{i}={\left[{r}_{i}^{-3}-\sum _{j}^{n}V\left({d}_{ij},{r}_{i},{S}_{j}\right)\right]}^{-\frac{1}{3}}
-
-
-where V(d,r,S) is given by
-
-
-.. math::
-   V\left(d,r,S\right)=\left\{\begin{array}{ccc}L\left(d,x,S\right){\mid }_{x=\mathrm{max}\left(r,d-S\right)}^{x=d+S}& \mid r-S\mid <d& \\ 0& 0\le d\le r-S& \\ L\left(d,x,S\right){\mid }_{x=d-S}^{x=d+S}& 0\le d\le S-r& \end{array}\right\}
-
-
-and
-
-
-.. math::
-   L\left(d,x,S\right)=\frac{3}{2}\left[\frac{1}{4{dx}^{2}}-\frac{1}{{3x}^{3}}+\frac{{d}^{2}-{S}^{2}}{8{dx}^{4}}\right]
-
-
-The S\ :sub:`i` are derived from the covalent topology of the solute:
-
-
-.. math::
-   {S}_{i}=0\text{.}\text{95}\cdot\mathrm{max}\left(0,\nu_i^{1/3}\right)
-
-
-
-.. math::
-   {\nu}_{i}={r}_{i}^{3}-\frac{1}{8}\sum _{j}{a}_{ij}^{2}\left({3r}_{i}-{a}_{ij}\right)+{a}_{ji}^{2}\left({3r}_{j}-{a}_{ji}\right)
-
-
-and
-
-
-.. math::
-   {a}_{ij}=\frac{{r}_{j}^{2}-({r}_{i}-{d}_{ij}{)}^{2}}{{2d}_{ij}}
-
-
-where :math:`d_{ij}` is the fixed covalent bond length between particles *i* and
-*j*\ , and the sum in the calculation of the :math:`\nu_i` is over the particles *j*
-covalently bonded to particle *i*.
-
 AndersenThermostat
 ******************
 

openmmapi/include/openmm/GBVIForce.h

@@ -46,6 +46,8 @@ namespace OpenMM {
  * be exactly equal to the number of particles in the System, or else an exception will be thrown when you
  * try to create a Context.  After a particle has been added, you can modify its force field parameters
  * by calling setParticleParameters().
+ * 
+ * @deprecated This class is not supported by most platforms, and will eventually be removed.  You can implement the same force with CustomGBForce.
  */
 
 class OPENMM_EXPORT GBVIForce : public Force {