Gromacs
2020.4
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#include <cstdio>
#include "gromacs/mdtypes/enerdata.h"
Header for the code that writes energy-like quantities.
Enumerations | |
enum | { dhbtDH = 0, dhbtDHDL = 1, dhbtEN, dhbtPV, dhbtEXPANDED, dhbtNR } |
Functions | |
FILE * | open_dhdl (const char *filename, const t_inputrec *ir, const gmx_output_env_t *oenv) |
Open the dhdl file for output. | |
Variables | |
const char * | egrp_nm [egNR+1] |
Printed names for intergroup energies. | |