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alanwilter
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acpype
OFFICIAL: AnteChamber PYthon Parser interfacE
https://alanwilter.github.io/acpype/
GNU General Public License v3.0
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Set atom/bond type judge option
#26
mquevill
opened
3 years ago
1
Adding atoms on top of existing atoms
#25
mquevill
closed
3 years ago
3
Some errors in the resulting topologies after conversion to gmx
#24
kaplajon
opened
3 years ago
5
Separation of non-water solvent in the topology file.
#23
riquri
closed
1 year ago
3
Atomtype IP not found
#22
dvdvbrn
closed
3 years ago
2
missing dihedral param in CNS params for cyclopropyl
#21
mieczyslaw
closed
1 year ago
2
Fixing citation encoding. More pythonic way of printing.
#20
ijpulidos
closed
4 years ago
0
Can't encode character in citation
#19
ijpulidos
closed
4 years ago
1
Fixed #17, Black and Flake8 applied
#18
alanwilter
closed
4 years ago
0
Tutorial needs update
#17
germanbarcenas
closed
4 years ago
1
Acpype lib
#16
alanwilter
closed
4 years ago
0
Problem generating prm and itp
#15
georopon
closed
4 years ago
1
Not able to generate charmm output
#14
bhargavchava97
closed
4 years ago
4
Update nonuniform 1-4 charge scaling to use qConv
#13
austenb28
closed
4 years ago
0
Value of qConv in acpype.py is too precise compared with that in AmberTools
#12
lazaroid
closed
4 years ago
2
Replace babel command with obabel
#11
simonbray
closed
4 years ago
1
OpenBabel 3 compatibility?
#10
simonbray
closed
4 years ago
6
Commit tag on new releases
#9
simonbray
closed
5 years ago
4
Error atom type IP
#8
amrhamedp
closed
4 years ago
2
ACPYPE fails with "Substring not found" error
#7
sukritsingh
closed
5 years ago
4
Change shebang line for python3
#6
lkagami
closed
6 years ago
0
Update and rename README.txt to README.md
#5
lkagami
closed
6 years ago
0
Description of Topology_14.p7_array_read
#4
austenb28
closed
6 years ago
0
Celery beat - Deleted_by_time
#3
lkagami
closed
6 years ago
0
tooltips no hard code
#2
lkagami
closed
6 years ago
0
tooltips no hard code
#1
lkagami
closed
6 years ago
0
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