solvated¶
timestep: 2.0
rigidbonds: all
nonbondedFreq: 1
fullElectFrequency: 2
stepspercycle: 10
PME: True
pmegridspacing: 1.0
wrapAll: True
NAMD parameters for solvated simulations
solvated¶
timestep: 2.0
rigidbonds: all
nonbondedFreq: 1
fullElectFrequency: 2
stepspercycle: 10
PME: True
pmegridspacing: 1.0
wrapAll: True
NAMD parameters for solvated simulations