search for: mdrun

...ment_blank(), legend.title=element_blank(), panel.background = element_blank(), axis.title.x = element_blank(), axis.text.x=element_blank(), axis.ticks.x=element_blank(), axis.title.y = element_text(angle = 90, hjust = 0.5)) And my data is this: > dput(data) structure(list(specie = c("gmx mdrun -gpu_id 1 -ntomp 16 -s benchMEM.tpr -nsteps 10000", "gmx mdrun -gpu_id 1 -ntomp 16 -s benchMEM.tpr -nsteps 10000", "gmx mdrun -gpu_id 1 -ntomp 16 -s benchMEM.tpr -nsteps 10000", "gmx mdrun -gpu_id 1 -ntomp 16 -s benchMEM.tpr -nsteps 10000", "gmx mdrun -gpu_id...

Hi, I have a data frame like this: > dput(df) structure(list(ID = 1:8, Type = c("gmx mdrun -ntmpi 8 -ntomp 1 -s benchPEP.tpr -nsteps 10000 -resethway", "gmx mdrun -ntmpi 8 -ntomp 1 -s benchPEP.tpr -nsteps 10000 -resethway", "gmx mdrun -ntmpi 8 -s benchPEP.tpr -nsteps 4000 -resetstep 3000", "gmx mdrun -ntmpi 8 -s benchPEP.tpr -nsteps 4000 -resetstep 3000&quot...

...6] [22:23:26] Project: 6056 (Run 0, Clone 91, Gen 50) [22:23:26] [22:23:26] Assembly optimizations on if available. [22:23:26] Entering M.D. Reading file work/wudata_09.tpr, VERSION 4.0.99_development_20090605 (single precision) Starting 6 threads Making 1D domain decomposition 6 x 1 x 1 starting mdrun 'Mutant_scan' 25500002 steps, 51000.0 ps (continuing from step 25000002, 50000.0 ps). [22:23:32] Completed 0 out of 500000 steps (0%) [22:28:01] Completed 5000 out of 500000 steps (1%) [22:32:31] Completed 10000 out of 500000 steps (2%) [22:37:00] Completed 15000 out of 500000 steps (...