The naming of several variables is changed to be consistent with the
latest free energy changes. Allows mdrun-gpu to be compiled, which
otherwise fails (as reported on gmx-developers).
Change-Id: I497ba07ee6883ef78d23022450f6c3d971b2127e
int atom3 = ubAtoms[offset++];
/* ubBondForce->addBond(atom1, atom3, */
bondForce->addBond(atom1, atom3,
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,
/* 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 */
}
/* Set proper dihedral terms */