Commit 814f2d46 authored by sjplimp's avatar sjplimp
Browse files 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11376 f3b2605a-c512-4ea7-a41b-209d697bcdaa
parent fd5e4d67

examples/dreiding/data.dreiding

+0 −3
Original line number Diff line number Diff line
@@ -1395,6 +1395,3 @@ Dihedrals 
     190        1      384      380      379      381 

     191        1      384      380      379      382 

     192        1      384      380      379      383 


Impropers

examples/micelle/in.micelle

+1 −1
Original line number Diff line number Diff line
@@ -57,7 +57,7 @@ pair_coeff 1 4 1.0 1.0 1.12246 


pair_coeff	2 3 1.0 0.88 1.12246

pair_coeff	2 4 1.0 0.75 1.12246

image



thermo		1000



#dump		1 all atom 2000 dump.micelle

examples/rigid/in.rigid.tnr

+2 −2
Original line number Diff line number Diff line
@@ -37,8 +37,6 @@ thermo_modify flush yes lost warn 


timestep	0.005



log		log.tnr



fix	1	rods	rigid molecule

fix	2	tethers	nve

fix	3	all	langevin 1.4 1.4 1.0 437624
@@ -46,12 +44,14 @@ fix 3 all langevin 1.4 1.4 1.0 437624 
run	5000



# Replace fix rigid and fix langevin with new ones



unfix	1

unfix	3



fix	3	tethers langevin 1.4 1.4 1.0 198450



# Test different integrators for rods



fix	1 rods	rigid/nve molecule

print 	"rigid/nve"

run	1000

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