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41 lines
1.2 KiB
41 lines
1.2 KiB
# This file was created Thu Apr 28 23:06:14 2022 |
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# Created by: |
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# :-) GROMACS - gmx msd, 2021.3 (-: |
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# |
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# Executable: /home/adit/opt/gromacs-2021.3/build/bin/gmx |
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# Data prefix: /home/adit/opt/gromacs-2021.3 (source tree) |
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# Working dir: /home/adit/MySoftware/CMMDE/test/larutan/SistemLarutan |
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# Command line: |
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# gmx msd -f nvep.trr -s nvep.tpr -n SLV.ndx -o msd_SLV.xvg |
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# gmx msd is part of G R O M A C S: |
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# |
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# GROtesk MACabre and Sinister |
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# |
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@ title "Mean Square Displacement" |
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@ xaxis label "Time (ps)" |
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@ yaxis label "MSD (nm\S2\N)" |
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@TYPE xy |
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# MSD gathered over 5 ps with 1 restarts |
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# Diffusion constants fitted from time 0.5 to 4.5 ps |
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# D[(resname_SLV)] = 6.4232 (+/- 1.9949) (1e-5 cm^2/s) |
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0 0 |
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0.25 0.0096222 |
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0.5 0.0203094 |
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0.75 0.0339887 |
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1 0.0499902 |
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1.25 0.0581352 |
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1.5 0.0635697 |
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1.75 0.0687521 |
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2 0.0769021 |
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2.25 0.0810643 |
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2.5 0.0943307 |
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2.75 0.107156 |
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3 0.116171 |
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3.25 0.12999 |
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3.5 0.142552 |
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3.75 0.155407 |
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4 0.165951 |
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4.25 0.169858 |
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4.5 0.169497 |
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4.75 0.175091 |
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5 0.191759
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