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

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sjplimp
2014-01-29 15:32:31 +00:00
parent fd5e4d67b1
commit 814f2d46be
3 changed files with 3 additions and 6 deletions
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3
examples/dreiding/data.dreiding
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@ -1395,6 +1395,3 @@ Dihedrals
190 1 384 380 379 381 190 1 384 380 379 381
191 1 384 380 379 382 191 1 384 380 379 382
192 1 384 380 379 383 192 1 384 380 379 383
Impropers

2
examples/micelle/in.micelle
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@ -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 3 1.0 0.88 1.12246
pair_coeff 2 4 1.0 0.75 1.12246 pair_coeff 2 4 1.0 0.75 1.12246
image
thermo 1000 thermo 1000
#dump 1 all atom 2000 dump.micelle #dump 1 all atom 2000 dump.micelle

4
examples/rigid/in.rigid.tnr
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@ -37,8 +37,6 @@ thermo_modify flush yes lost warn
timestep 0.005 timestep 0.005
log log.tnr
fix 1 rods rigid molecule fix 1 rods rigid molecule
fix 2 tethers nve fix 2 tethers nve
fix 3 all langevin 1.4 1.4 1.0 437624 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 run 5000
# Replace fix rigid and fix langevin with new ones # Replace fix rigid and fix langevin with new ones
unfix 1 unfix 1
unfix 3 unfix 3
fix 3 tethers langevin 1.4 1.4 1.0 198450 fix 3 tethers langevin 1.4 1.4 1.0 198450
# Test different integrators for rods # Test different integrators for rods
fix 1 rods rigid/nve molecule fix 1 rods rigid/nve molecule
print "rigid/nve" print "rigid/nve"
run 1000 run 1000