# 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 SLV.ndx -o msd_SLV.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_SLV)] = 38.7058 (+/- 8.3051) (1e-5 cm^2/s) 0 0 0.25 0.0192117 0.5 0.0592023 0.75 0.102799 1 0.139409 1.25 0.187909 1.5 0.247107 1.75 0.312685 2 0.376386 2.25 0.420213 2.5 0.460079 2.75 0.512237 3 0.591065 3.25 0.660409 3.5 0.727847 3.75 0.792531 4 0.854195 4.25 0.908487 4.5 0.9653 4.75 1.00313 5 1.06781