compute 	stressPerAtom_u_35 		myBlockGroup_u_35	stress/atom 	NULL

compute 	voronoi_u_35	myBlockGroup_u_35	voronoi/atom

variable	tau_xy_u_35			atom		c_stressPerAtom_u_35[4]/c_voronoi_u_35[1]/10000

# ----- run -----
label	myLoop
variable	i	loop	1	1000

print '# ----- ${i} started -----'

thermo 1000

fix             fixU       upHandleGroup       move rotate   95   0 0 -1 0 0 ${periodOfTorsion}
run             ${RunLoading}
unfix           fixU

write_restart		restart.torsion.${runSeries}.${runNumber}.*

fix             fixU       upHandleGroup      move linear  0 0 0
run             ${RunRelaxAfter}

write_restart		restart.torsion.${runSeries}.${runNumber}.*

print '# ----- (${i}) read outputs from here -----'

thermo 100

dump myDumpLight${i} all xyz 1000 dumpL${i}.xyz
dump_modify myDumpLight${i} element Al

dump 	myDumpStress${i}_u_test_35		 			myBlockGroup_u_35		custom 		200 		myDumpStress_u_35_${i}.coord    id    v_tau_xy_u_35																											

run             ${RunDataRead}
unfix           fixU

write_restart		restart.torsion.${runSeries}.${runNumber}.*

undump myDumpLight${i}

undump 	myDumpStress${i}_u_test_35		 

print '# ----- ${i} done -----'

next	i
jump	SELF	myLoop