Merge remote-tracking branch 'gerrit/release-4-6'

[alexxy/gromacs.git] / src / programs / mdrun / openmm_wrapper.cpp

diff --git a/src/programs/mdrun/openmm_wrapper.cpp b/src/programs/mdrun/openmm_wrapper.cpp
index a9ee28f19e7b009fa749a7b89ca8daa042bec710..70d63a33d46f30006ee1b4618b870e6e056a39e9 100644 (file)
--- a/src/programs/mdrun/openmm_wrapper.cpp
+++ b/src/programs/mdrun/openmm_wrapper.cpp
@@ -925,10 +925,10 @@ void* openmm_init(FILE *fplog, const char *platformOptStr,
             int atom3 = ubAtoms[offset++];
             /* ubBondForce->addBond(atom1, atom3, */
             bondForce->addBond(atom1, atom3,
-                               idef.iparams[type].u_b.r13, idef.iparams[type].u_b.kUB);
+                               idef.iparams[type].u_b.r13A, idef.iparams[type].u_b.kUBA);
             /* ubAngleForce->addAngle(atom1, atom2, atom3, */ 
             angleForce->addAngle(atom1, atom2, atom3, 
-                    idef.iparams[type].u_b.theta*M_PI/180.0, idef.iparams[type].u_b.ktheta);
+                    idef.iparams[type].u_b.thetaA*M_PI/180.0, idef.iparams[type].u_b.kthetaA);
         }
 
                /* Set proper dihedral terms */