structure          bbl.psf
coordinates        bbl.pdb

parameters /apps/prebuilt/namd/NB-3.0.2/NAMD_Git-2025-12-04_Linux-x86_64-multicore-CUDA/lib/namdcph/toppar/par_all36_prot.prm
parameters /apps/prebuilt/namd/NB-3.0.2/NAMD_Git-2025-12-04_Linux-x86_64-multicore-CUDA/lib/namdcph/toppar/toppar_water_ions.str
paraTypeCharmm     on

set temp           310
temperature        $temp

exclude            scaled1-4
1-4scaling         1.0
cutoff             12.0
switching          on
switchdist         10.0
pairlistdist       14.0

timestep           2.0
rigidBonds         all
nonbondedFreq      1
fullElectFrequency 2
stepspercycle      10

outputName         test_output
restartfreq        50
dcdfreq            50
outputEnergies     10

minimize           50
run                50