Setup

Setup

Setup

Restore default values

runname

Structure file

offset

use_simulation

min2_cycles

minc_cycles

nparallel

use_cuda

use_5PO

Setup

Simulation

Simulation 1

Restore default values

md1

Number of MD steps

temperature

restraints_value

restraints_atoms

Simulation 2

Restore default values

md2

Number of MD steps

temperature

restraints_value

restraints_atoms