MOVE_PROBABILITIES

Parameters for fraction of moves performed for each move type. [Edit on GitHub]

Subsections

Keywords

PMAVBMC

Type: real
Default: 0.00000000E+000
Usage: PMAVBMC {real}

Description: The probability of attempting an AVBMC swap move.

PMCLTRANS

Type: real
Default: 0.00000000E+000
Usage: PMCLTRANS {real}

Description: The probability of attempting a cluster translation.

PMHMC

Type: real
Default: 0.00000000E+000
Usage: PMHMC {real}

Description: The probability of attempting a hybrid MC move.

PMSWAP

Type: real
Default: 0.00000000E+000
Usage: PMSWAP {real}

Description: The probability of attempting a swap move.

PMTRAION

Type: real
Usage: PMTRAION {real}

Description: The probability of attempting a conformational change.

PMTRANS

Type: real
Usage: PMTRANS {real}

Description: The probability of attempting a molecule translation.

PMVOLUME

Type: real
Default: 0.00000000E+000
Usage: PMVOLUME {real}

Description: The probability of attempting a volume move.