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Commit e7634a44 authored by dstelter92's avatar dstelter92
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updated thermo_modify in example

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......@@ -20,13 +20,12 @@ read_data ${rep}/lj.data
fix fxnpt all npt temp ${T0} ${T0} 1000.0 iso ${press} ${press} 10000.0
fix fxgREM all grem ${lambda} -.03 -30000 fxnpt
thermo_modify press fxgREM_press
thermo 10
thermo_style custom step temp f_fxgREM pe etotal press vol
thermo_modify press fxgREM_press
timestep 1.0
temper/grem 10000 100 ${lambda} fxgREM fxnpt 10294 98392 #${walker}
temper/grem 10000 100 ${lambda} fxgREM fxnpt 10294 98392 #${walker}
#write_data ${rep}/lj-out.data
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