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root/group/trunk/OOPSE/libmdtools/Integrator.cpp
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Comparing trunk/OOPSE/libmdtools/Integrator.cpp (file contents):
Revision 1283 by tim, Fri Jun 11 17:16:21 2004 UTC vs.
Revision 1284 by tim, Mon Jun 21 18:52:21 2004 UTC

# Line 210 | Line 210 | template<typename T> void Integrator<T>::integrate(voi
210    calcForce(1, 1);
211  
212    //execute constraint algorithm to make sure at the very beginning the system is constrained  
213 <  consFramework->doPreConstraint();
214 <  consFramework->doConstrainA();
215 <  calcForce(1, 1);
216 <  consFramework->doConstrainB();
213 >  //consFramework->doPreConstraint();
214 >  //consFramework->doConstrainA();
215 >  //calcForce(1, 1);
216 >  //consFramework->doConstrainB();
217    
218    if (info->setTemp){
219      thermalize();

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