numsteps 3000 structure ../common/ubiquitin.psf coordinates ../common/ubiquitin.pdb outputName push set last ../common/push-eq-2.restart bincoordinates ${last}.coor binvelocities ${last}.vel extendedSystem ${last}.xsc #temperature 288 langevin on langevinDamping 1.0 langevinTemp 288 langevinHydrogen off switching on switchdist 10 cutoff 12 pairlistdist 14 margin 5 binaryOutput yes binaryRestart yes paraTypeCharmm on parameters ../common/par_all27_prot_lipid.inp COMmotion no outputEnergies 100 outputTiming 100 xstFreq 100 dcdFreq 100 restartFreq 100 timestep 1 nonBondedFreq 2 fullElectFrequency 4 stepsPerCycle 20 exclude scaled1-4 1-4scaling 1 Pme on PmeGridSizeX 32 PmeGridSizeY 32 PmeGridSizeZ 32 tclforces on set linaccel "30 0 0" tclforcesscript push.tcl