# 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 URA.ndx -o msd_URA.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_URA)] = 3.9640 (+/- 3.7993) (1e-5 cm^2/s) 0 0 0.25 0.00908764 0.5 0.0186648 0.75 0.0266412 1 0.0334288 1.25 0.0384099 1.5 0.0487507 1.75 0.063285 2 0.0724394 2.25 0.0743349 2.5 0.082415 2.75 0.0883465 3 0.101314 3.25 0.103967 3.5 0.109389 3.75 0.110158 4 0.102565 4.25 0.101962 4.5 0.104766 4.75 0.114225 5 0.132007