md-scripts-main.zip
(预估有个98文件)
md-scripts-main
RDkit Code.py
2KB
interface
hnum_bar.py
8KB
hnumcaller.sh
576B
lab-gpu
Scripts
scpcopy.sh
780B
firstscript.sh
101B
test.sh
118B
sourcegro.sh
48B
edr_analyse.sh
263B
md-template
md_2020_x.sh
3KB
analyser2020_1.sh
882B
md_2020_1.sh
2KB
des_des.sh
3KB
analyser2020.sh
2KB
md_2020_xx.sh
3KB
.analysis_2020_1.sh.swp
12KB
Analysis
xvgreformer.sh
568B
ang-rename.sh
241B
hbond.sh
1KB
unzipper.sh
417B
Interface
tm21-density.sh
2KB
dm11-density.sh
2KB
tm11-density.sh
2KB
tl21-density.sh
2KB
dm12-density.sh
2KB
ml21-density.sh
2KB
dl21-density.sh
2KB
tl11-density.sh
2KB
unxvg2txt.sh
135B
hbond-template.sh
1KB
rdfbaba3.sh
3KB
xvg2txt.sh
148B
batchMd.sh
241B
traj2gro.sh
461B
xvg2txtconverter.py
3KB
DES-IRC
gpu_traj2txt.sh
976B
unxvg.sh
108B
md.sh
3KB
des_irc.py
570B
msd.sh
1KB
solvate.sh
387B
dist-rename.sh
241B
install
installation.sh
272B
gro-installer_lab.sh
364B
xvg2dat.py
3KB
dipoles.sh
775B
netcharge.py
828B
MD-analysis
ml21-hbond.sh
1KB
tm21-hbond.sh
1008B
tl21-hbond.sh
1KB
dm11-hbond.sh
1KB
dm12-hbond.sh
1KB
dl21-hbond.sh
1KB
tl11-hbond.sh
1KB
tm11-hbond.sh
1008B
pdb2gro.sh
163B
grosim.sh
1KB
rdfbaba.sh
3KB
.md_2020_2.sh.swp
12KB
tien
MDrun-llc-gpu-DES-run.sh
2KB
MDrun-llc-cpu.sh
2KB
MDrun-llc-gpu-DES.sh
960B
delete.sh
55B
xvg2txt.sh
148B
filerenamer
filerenamer_test_v1.py
3KB
filerenamer_test_v3.py
7KB
filerenamer_v0.py
1KB
filerenamer_test_v2.py
4KB
xvg2txtconverter.py
3KB
DES-DES
scpcopy.sh
574B
des_des.sh
3KB
gro_merger.py
3KB
template-md
grosimllc_gpu.sh
2KB
grosimllc_gpu2019.sh
2KB
grosimllc_cpu2020.sh
2KB
mdgpu2020.sh
3KB
extendgpu2020.sh
939B
gro_install.sh
825B
grosimllc_cpu.sh
2KB
analysis_gpu2020.sh
2KB
grosimllc_cpu2019.sh
2KB
mdcpu2020.sh
3KB
analysis_cpu2020.sh
2KB
grosimllc_test.sh
716B
grosimllc_gpu2020.sh
2KB
DES-IRC
folder_renamer.sh
159B
top_renamer.py
904B
itpandgro.py
8KB
des_renamer.py
6KB
md.sh
2KB
batchMd.sh
241B
des_irc.py
699B
netcharge.py
828B
getmolprop.py
2KB
launcher.sh
572B
mdcopier.sh
87B
descopier.sh
130B
SMILE(CSV writer).py
2KB
rdfrenamer.sh
399B
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