Commit 4a3091f8 authored by dstelter92's avatar dstelter92
Browse files

modified temper_grem example with more exchanges

parent 747c95c5
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+4 −4
Original line number Original line Diff line number Diff line
# LJ particles
# LJ particles
variable        lambda world 400 410 420 430
variable        lambda world 400 405 410 415
variable        rep world 1 2 3 4
variable        rep world 0 1 2 3 
#variable        walker world 1 2 3 4
#variable        walker world 1 0 2 3


variable        T0 equal 300.0
variable        T0 equal 300.0
variable        press equal 0.0
variable        press equal 0.0
@@ -21,6 +21,6 @@ fix fxnpt all npt temp ${T0} ${T0} 1000.0 iso ${press} ${press} 1000
fix             fxgREM all grem ${lambda} -.01 -30000 fxnpt
fix             fxgREM all grem ${lambda} -.01 -30000 fxnpt
thermo_modify   press fxgREM_press
thermo_modify   press fxgREM_press


grem            10000 1000 ${lambda} fxgREM fxnpt 10294 98392 
grem            5000 100 ${lambda} fxgREM fxnpt 10294 98392 #${walker}


#write_data      lj-out.data
#write_data      lj-out.data
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