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root/group/trunk/OOPSE-1.0/libmdtools/SimInfo.hpp
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Comparing trunk/OOPSE-1.0/libmdtools/SimInfo.hpp (file contents):
Revision 1334 by gezelter, Fri Jul 16 18:58:03 2004 UTC vs.
Revision 1417 by tim, Tue Jul 27 15:41:17 2004 UTC

# Line 106 | Line 106 | class SimInfo{ (public)
106    double thermalTime;            // the temp kick interval
107    double currentTime;            // Used primarily for correlation Functions
108    double resetTime;              // Use to reset the integrator periodically
109 +  short int have_target_temp;
110  
111    int n_mol;           // n_molecules;
112    Molecule* molecules; // the array of molecules
# Line 124 | Line 125 | class SimInfo{ (public)
125    Restraints* restraint;
126    bool has_minimizer;
127  
128 <  char finalName[300];  // the name of the eor file to be written
129 <  char sampleName[300]; // the name of the dump file to be written
130 <  char statusName[300]; // the name of the stat file to be written
130 <  char rawPotName[300];  // the name of the raw file to be written
128 >  string finalName;  // the name of the eor file to be written
129 >  string sampleName; // the name of the dump file to be written
130 >  string statusName; // the name of the stat file to be written
131  
132    int seed;                    //seed for random number generator
133  

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