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