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owenvickery
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cg2at
Conversion of coarsegrain to atomistic (complete rewrite of the original CG2AT)
GNU General Public License v3.0
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The bead SC1 is missing from the fragment library: ALA
#29
pollitus
opened
5 months ago
0
Fragments for lipidated amino acids
#28
anjukris
opened
7 months ago
0
Issues with CG2AT Backmapping - Peptidic bonds in cis configuration
#26
GilbertoPPereira
opened
1 year ago
3
Issue finding information for residue: CYSD
#25
skaswur
opened
1 year ago
2
Centering final protein?
#22
pachequin1
closed
1 year ago
0
Bug with program using GROMACS 2022
#21
dnusha1994
closed
2 years ago
2
Unable to backmap simple protein structure
#20
LHRK
closed
2 years ago
1
Ring conformation of PIP2 lipids wrong
#19
LHRK
closed
2 years ago
10
Adding newest CHARMM36 force field to forcefield folder
#18
dnusha1994
closed
2 years ago
5
Development suggestion: Option to choose histidine tautomers/charge
#17
KasperBuskPedersen
opened
2 years ago
1
Failed to process atomistic input file
#16
yang-guoli
closed
2 years ago
4
POPS & Lipid II updates
#15
pstansfeld
opened
2 years ago
1
Converting to oplsaa
#14
lxp974
opened
2 years ago
2
Key error:'BB'
#13
WillPPK
closed
2 years ago
1
cholesterol stereochemistry wrong
#12
TBGAnsell
closed
2 years ago
2
Update at_mod.py
#11
owenvickery
closed
3 years ago
0
Update cg2at.py
#10
owenvickery
closed
3 years ago
0
Removes .pyc files and adds basic gitignore
#8
IAlibay
closed
4 years ago
1
Create LICENSE
#7
owenvickery
closed
4 years ago
0
revising CDL2 params to include missing atoms
#6
owenvickery
closed
4 years ago
0
adding molecule FEN
#5
owenvickery
closed
4 years ago
0
Dev
#4
owenvickery
closed
4 years ago
0
Create LICENSE
#3
owenvickery
closed
4 years ago
0
adding new dir, testing pull request
#2
owenvickery
closed
4 years ago
0
add supports for different DM lipids in Golgi
#1
xiki-tempula
closed
4 years ago
0