meld.system.openmm_runner.runner

Classes

OpenMMRunner(system, options[, …])

PMEParams(enable, tolerance)

PressureCouplingParams(enable, pressure, …)

class meld.system.openmm_runner.runner.PMEParams(enable, tolerance)
count(value) → integer -- return number of occurrences of value
enable

Alias for field number 0

index(value[, start[, stop]]) → integer -- return first index of value.

Raises ValueError if the value is not present.

tolerance

Alias for field number 1

class meld.system.openmm_runner.runner.PressureCouplingParams(enable, pressure, temperature, steps)
count(value) → integer -- return number of occurrences of value
enable

Alias for field number 0

index(value[, start[, stop]]) → integer -- return first index of value.

Raises ValueError if the value is not present.

pressure

Alias for field number 1

steps

Alias for field number 3

temperature

Alias for field number 2