MOL_PROBABILITIES

Probabilities of attempting various moves types on the various molecular types present in the simulation. [Edit on GitHub]

Keywords

PMAVBMC_MOL

Type: real[ ]
Usage: PMAVBMC_MOL {real} {real} …

Description: The probability of attempting an AVBMC swap move on each molecule type.

PMROT_MOL

Type: real[ ]
Usage: PMROT_MOL {real} {real} …

Description: The probability of attempting a molecule rotation of a given molecule type.

PMSWAP_MOL

Type: real[ ]
Usage: PMSWAP_MOL {real} {real} …

Description: The probability of attempting a molecule swap of a given molecule type.

PMTRAION_MOL

Type: real[ ]
Usage: PMTRAION_MOL {real} {real} …

Description: The probability of attempting a conformational change of a given molecule type.

PMTRANS_MOL

Type: real[ ]
Usage: PMTRANS_MOL {real} {real} …

Description: The probability of attempting a molecule translation of a given molecule type.