void useEmptyMdpFile();
//! Use a string as -f input to grompp
void useStringAsMdpFile(const char *mdpString);
+ //! Use a string as -f input to grompp
+ void useStringAsMdpFile(const std::string &mdpString);
//! Use a string as -n input to grompp
void useStringAsNdxFile(const char *ndxString);
//! Use a standard .top and .gro file as input to grompp
*/
std::string topFileName;
std::string groFileName;
- std::string trrFileName;
- std::string xtcFileName;
+ std::string fullPrecisionTrajectoryFileName;
+ std::string reducedPrecisionTrajectoryFileName;
std::string ndxFileName;
std::string mdpInputFileName;
std::string mdpOutputFileName;