# This file was created Mon Mar 21 18:17:18 2022 # Created by: # :-) GROMACS - gmx energy, 2022-conda_forge (-: # # Executable: /home/simon/miniconda3/envs/__gromacs@2022/bin.AVX2_256/gmx # Data prefix: /home/simon/miniconda3/envs/__gromacs@2022 # Working dir: /tmp/tmpt1cctsw0/job_working_directory/000/2/working # Command line: # gmx energy -f ./edr_input.edr -o ./energy.xvg # gmx energy is part of G R O M A C S: # # Green Red Orange Magenta Azure Cyan Skyblue # @ title "GROMACS Energies" @ xaxis label "Time (ps)" @ yaxis label "(kJ/mol)" @TYPE xy @ view 0.15, 0.15, 0.75, 0.85 @ legend on @ legend box on @ legend loctype view @ legend 0.78, 0.8 @ legend length 2 @ s0 legend "Potential" @ s1 legend "Total Energy" @ s2 legend "Conserved En." 0.000000 -875.856201 -565.607910 -561.483948 0.100000 -937.817383 -652.096558 -563.097961 0.200000 -1076.080811 -764.079712 -564.585632 0.300000 -1128.099854 -869.548645 -563.387207 0.400000 -1194.588623 -941.101868 -563.371216 0.500000 -1229.046509 -942.665039 -564.364685 0.600000 -1304.865845 -1042.604736 -565.530396 0.700000 -1355.996216 -1110.028687 -566.059509 0.800000 -1339.003906 -1115.218750 -566.635681 0.900000 -1310.706909 -1073.441406 -566.569702 1.000000 -1306.671997 -1089.731323 -566.253174