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added new video
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10 files changed

+2859
-2853
lines changed

10 files changed

+2859
-2853
lines changed

level1/bulk-solution/localRun.sh

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@@ -42,4 +42,10 @@ EOF
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${gmx} msd -f production.xtc -s production.tpr -o sol-msd.xvg << EOF
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4
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EOF
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EOF
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${gmx} grompp -f inputs/video.mdp -c production.gro -p topol.top -o video -pp video -po video
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${gmx} mdrun -v -deffnm video -nt 8
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${gmx} trjconv -f video.xtc -s video.tpr -o video.xtc -pbc nojump
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level1/bulk-solution/production.gro

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level1/bulk-solution/production.mdp

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;
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; File 'production.mdp' was generated
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; By user: simon (1000)
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; On host: tower
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; At date: Thu Jun 6 16:41:17 2024
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; On host: laptop
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; At date: Wed Jun 12 22:27:09 2024
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;
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; Created by:
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; :-) GROMACS - gmx grompp, 2024.2 (-:
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; Data prefix: /home/simon/Softwares/gromacs-2024.2 (source tree)
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; Working dir: /home/simon/Git/GROMACS/inputs/level1/bulk-solution
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; Command line:
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; gmx grompp -f inputs/production.mdp -c npt.gro -p topol.top -o production -pp production -po production
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; gmx grompp -f inputs/production.mdp -c production.gro -p topol.top -o production -pp production -po production
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; VARIOUS PREPROCESSING OPTIONS
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; Preprocessor information: use cpp syntax.
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; GENERATE VELOCITIES FOR STARTUP RUN
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gen-vel = no
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gen-temp = 300
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gen-seed = -740853265
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gen-seed = -33816850
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; OPTIONS FOR BONDS
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constraints = hbonds
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level1/bulk-solution/vmd-video/convert_transparent.sh

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@@ -4,13 +4,13 @@ for file in dark.*.ppm;
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do
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convert $file -transparent black $file.png; # -crop 500x557+100+0
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done
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img2webp -o video-solution-dark.webp -q 10 -mixed -d 33.33 *.png
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img2webp -o video-solution-dark.webp -q 10 -mixed -d 33 *.png
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rm *.png
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for file in light.*.ppm;
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do
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convert $file -transparent white $file.png; # -crop 500x557+100+0
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done
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img2webp -o video-solution-white.webp -q 10 -mixed -d 33.33 *.png
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img2webp -o video-solution-white.webp -q 10 -mixed -d 33 *.png
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rm *.png
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