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42 lines
1.2 KiB
42 lines
1.2 KiB
2 years ago
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# This file was created Tue Jun 7 16:54:27 2022
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# Created by:
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# :-) GROMACS - gmx msd, 2020.6-Debian-2020.6-2 (-:
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#
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# Executable: /usr/bin/gmx
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# Data prefix: /usr
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# Working dir: /home/student/adit/CMMDE_launching/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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# Getting the Right Output Means no Artefacts in Calculating Stuff
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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)] = 38.7058 (+/- 8.3051) (1e-5 cm^2/s)
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0 0
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0.25 0.0192117
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0.5 0.0592023
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0.75 0.102799
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1 0.139409
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1.25 0.187909
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1.5 0.247107
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1.75 0.312685
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2 0.376386
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2.25 0.420213
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2.5 0.460079
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2.75 0.512237
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3 0.591065
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3.25 0.660409
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3.5 0.727847
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3.75 0.792531
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4 0.854195
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4.25 0.908487
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4.5 0.9653
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4.75 1.00313
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5 1.06781
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