# | Line 96 | Line 96 | namespace oopse { | |
---|---|---|
96 | ||
97 | } | |
98 | ||
99 | < | SimInfo* SimCreator::createSim(const std::string & mdFileName, bool loadInitCoords) { |
99 | > | SimInfo* SimCreator::createSim(const std::string & mdFileName, |
100 | > | bool loadInitCoords) { |
101 | ||
102 | MakeStamps * stamps = new MakeStamps(); | |
103 | ||
# | Line 106 | Line 107 | namespace oopse { | |
107 | parseFile(mdFileName, stamps, simParams); | |
108 | ||
109 | //create the force field | |
110 | < | ForceField * ff = ForceFieldFactory::getInstance()->createForceField( |
111 | < | simParams->getForceField()); |
110 | > | ForceField * ff = ForceFieldFactory::getInstance() |
111 | > | ->createForceField(simParams->getForceField()); |
112 | ||
113 | if (ff == NULL) { | |
114 | < | sprintf(painCave.errMsg, "ForceField Factory can not create %s force field\n", |
114 | > | sprintf(painCave.errMsg, |
115 | > | "ForceField Factory can not create %s force field\n", |
116 | simParams->getForceField()); | |
117 | painCave.isFatal = 1; | |
118 | simError(); |
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