# This file was created Tue Jun 7 16:54:27 2022 # Created by: # :-) GROMACS - gmx msd, 2020.6-Debian-2020.6-2 (-: # # Executable: /usr/bin/gmx # Data prefix: /usr # Working dir: /home/student/adit/CMMDE_launching/larutan/SistemLarutan # Command line: # gmx msd -f nvep.trr -s nvep.tpr -n AMK.ndx -o msd_AMK.xvg # gmx msd is part of G R O M A C S: # # Getting the Right Output Means no Artefacts in Calculating Stuff # @ 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_AMK)] = 32.8258 (+/- 44.3559) (1e-5 cm^2/s) 0 0 0.25 0.0182079 0.5 0.0447634 0.75 0.0938226 1 0.186926 1.25 0.290412 1.5 0.380256 1.75 0.482862 2 0.548567 2.25 0.545967 2.5 0.594994 2.75 0.722441 3 0.823862 3.25 0.799209 3.5 0.771951 3.75 0.776383 4 0.752131 4.25 0.765308 4.5 0.835394 4.75 0.947002 5 1.03603