NAMD
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#include <GromacsTopFile.h>
Public Member Functions | |
void | addType (const char *typea, const char *typeb, Real c6, Real c12) |
void | add14Type (const char *typea, const char *typeb, Real c6pair, Real c12pair) |
int | getParams (const char *typea, const char *typeb, Real *c6, Real *c12, Real *c6pair, Real *c12pair) const |
Definition at line 388 of file GromacsTopFile.h.
Definition at line 1357 of file GromacsTopFile.C.
References ResizeArray< Elem >::add().
Referenced by GromacsTopFile::GromacsTopFile().
int VDWTable::getParams | ( | const char * | typea, |
const char * | typeb, | ||
Real * | c6, | ||
Real * | c12, | ||
Real * | c6pair, | ||
Real * | c12pair | ||
) | const |