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Nonbonded.h File Reference

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Classes

class  ForceFields::UFF::vdWContrib
 the van der Waals term for the Universal Force Field More...

Namespaces

namespace  ForceFields
namespace  ForceFields::UFF
namespace  ForceFields::UFF::Utils

Functions

double ForceFields::UFF::Utils::calcNonbondedMinimum (const AtomicParams *at1Params, const AtomicParams *at2Params)
 calculates and returns the UFF minimum position for a vdW contact
double ForceFields::UFF::Utils::calcNonbondedDepth (const AtomicParams *at1Params, const AtomicParams *at2Params)
 calculates and returns the UFF well depth for a vdW contact
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