Created bonded module

[alexxy/gromacs.git] / src / gromacs / bonded / restcbt.cpp

diff --git a/src/gromacs/gmxlib/restcbt.c b/src/gromacs/bonded/restcbt.cpp
similarity index 99%
rename from src/gromacs/gmxlib/restcbt.c
rename to src/gromacs/bonded/restcbt.cpp
index 64c0d00839e4707d30a242c5532adbbb1160ebdd..45b7e84c015586ac635f6b7e07f3d0244b8c23fd 100644 (file)
--- a/src/gromacs/gmxlib/restcbt.c
+++ b/src/gromacs/bonded/restcbt.cpp
@@ -34,6 +34,8 @@
  */
 #include "gmxpre.h"
 
+#include "restcbt.h"
+
 #include <math.h>
 
 #include "gromacs/math/units.h"
@@ -92,7 +94,7 @@ void compute_factors_restrdihs(int type,  const t_iparams forceparams[],
                                real *prefactor_phi, real *v)
 {
 
-    real phi0, sine_phi0, cosine_phi0;
+    real phi0, cosine_phi0;
     real k_torsion;
     real c_self_ante, c_self_crnt, c_self_post;
     real c_cros_ante, c_cros_acrs, c_cros_post;
@@ -100,12 +102,11 @@ void compute_factors_restrdihs(int type,  const t_iparams forceparams[],
     real sine_phi_sq, cosine_phi;
     real delta_cosine, term_phi_phi0;
     real ratio_phi_ante, ratio_phi_post;
-    real cos_phi, norm_phi;
+    real norm_phi;
 
     /* Read parameters phi0 and k_torsion */
     phi0        = forceparams[type].pdihs.phiA * DEG2RAD;
     cosine_phi0 = cos(phi0);
-    sine_phi0   = sin(phi0);
     k_torsion   = forceparams[type].pdihs.cpA;
 
     /* Computation of the cosine of the dihedral angle. The scalar ("dot") product  method