--- trunk/makeLipid/makeLipid.cpp 2002/07/11 16:30:34 27 +++ trunk/makeLipid/makeLipid.cpp 2002/07/17 20:33:56 32 @@ -73,18 +73,19 @@ int main(int argc,char* argv[]){ DirectionalAtom* dAtomNew; double rotMat[3][3]; + double unitRotMat[3][3]; - rotMat[0][0] = 1.0; - rotMat[0][1] = 0.0; - rotMat[0][2] = 0.0; + unitRotMat[0][0] = 1.0; + unitRotMat[0][1] = 0.0; + unitRotMat[0][2] = 0.0; - rotMat[1][0] = 0.0; - rotMat[1][1] = 1.0; - rotMat[1][2] = 0.0; + unitRotMat[1][0] = 0.0; + unitRotMat[1][1] = 1.0; + unitRotMat[1][2] = 0.0; - rotMat[2][0] = 0.0; - rotMat[2][1] = 0.0; - rotMat[2][2] = 1.0; + unitRotMat[2][0] = 0.0; + unitRotMat[2][1] = 0.0; + unitRotMat[2][2] = 1.0; int index =0; for(i=0; isetSUx( dAtom->getSUx() ); dAtomNew->setSUx( dAtom->getSUx() ); dAtomNew->setSUx( dAtom->getSUx() ); - + + dAtom->getA( rotMat ); dAtomNew->setA( rotMat ); group_atoms[index] = dAtomNew; @@ -261,6 +263,7 @@ int main(int argc,char* argv[]){ dAtomNew->setSUx( dAtom->getSUx() ); dAtomNew->setSUx( dAtom->getSUx() ); + dAtom->getA(rotMat); dAtomNew->setA( rotMat ); new_atoms[index] = dAtomNew; @@ -306,7 +309,7 @@ int main(int argc,char* argv[]){ dAtom->setSUy( 0.0 ); dAtom->setSUz( 1.0 ); - dAtom->setA( rotMat ); + dAtom->setA( unitRotMat ); index++; }