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---
lammps_version: 10 Feb 2021
date_generated: Fri Feb 26 23:09:58 2021
epsilon: 2e-14
prerequisites: ! |
atom full
fix smd
pre_commands: ! ""
post_commands: ! |
fix move all nve
fix test solute smd cfor 5.0 tether 2.0 -1.0 -1.0 0.1
input_file: in.fourmol
natoms: 29
global_vector: ! |-
7 3.468936708094085 -3.4952703851457807 -0.8657730938070575 5 1.1439828473945521 1.1439828473945521 0
run_pos: ! |2
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2 3.1005937993458582e-01 2.9612162404086972e+00 -8.5466839405216255e-01
3 -7.0396642981223079e-01 1.2305317728828771e+00 -6.2778003312688724e-01
4 -1.5817968494543349e+00 1.4837215591922051e+00 -1.2538758472881513e+00
5 -9.0717855253232460e-01 9.2650181615597083e-01 3.9953734120180318e-01
6 2.4833628944348490e-01 2.8311099227810960e-01 -1.2314280968529296e+00
7 3.4145436060961082e-01 -2.2665773741112557e-02 -2.5292339051724677e+00
8 1.1743743071051267e+00 -4.8865150836008781e-01 -6.3783909279025508e-01
9 1.3800715071455811e+00 -2.5276643300495033e-01 2.8353509518889941e-01
10 2.0510956062506747e+00 -1.4604255967321174e+00 -9.8324221449979787e-01
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29 -1.3126000191360074e+00 -3.5962518039483373e+00 2.2746342468737999e+00
run_vel: ! |2
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8 7.9255546313470975e-03 -3.3699490112826008e-03 3.4552335174084084e-02
9 1.5835010380539560e-03 3.7173310556220386e-03 1.5042645503465618e-02
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13 2.7722574718472481e-03 5.7978826056110022e-03 -7.9943785940617639e-04
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29 6.4110631529538345e-04 3.1273432718600222e-03 3.7253671105959138e-03
...
|
