# 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 URA.ndx -o msd_URA.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_URA)] = 12.3555 (+/- 8.7627) (1e-5 cm^2/s) 0 0 0.25 0.0133805 0.5 0.036392 0.75 0.0579278 1 0.0743596 1.25 0.0966733 1.5 0.112928 1.75 0.146919 2 0.181349 2.25 0.206685 2.5 0.223924 2.75 0.245809 3 0.259067 3.25 0.270479 3.5 0.277921 3.75 0.291355 4 0.295729 4.25 0.307507 4.5 0.322355 4.75 0.352738 5 0.400328