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choderalab
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ambermini
A stripped-down set of just antechamber, sqm, and tleap.
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How to change sqm.out directory when using antechamber to convert pdb to mol2?
#45
mainguyenanhvu
closed
1 year ago
2
Removed travis CI config file
#44
mikemhenry
closed
3 years ago
0
Compiling problems of arpack with gfortran-10
#43
InnocentBug
opened
3 years ago
0
Incorrectly translated equation in gaff
#42
verseon-it
opened
3 years ago
0
OPC water and 12_6_4 parameters
#41
eveliz147
opened
4 years ago
0
AmberTools17 update
#40
j3mdamas
closed
7 years ago
5
Separate source comment from numeric value of c1-sh-hs in gaff.dat
#39
jaimergp
closed
4 years ago
0
How to handle AmberMini Development going forward
#38
Lnaden
opened
8 years ago
11
Attempt AmberTools v16 upgrade
#37
Lnaden
closed
8 years ago
28
Update to AmberTools 16
#36
jchodera
closed
8 years ago
47
Add reduce to ambermini?
#35
jchodera
opened
8 years ago
5
sqm regression from AmberTools14 to 15?
#34
andrrizzi
closed
8 years ago
6
Windows uses?
#33
swails
opened
8 years ago
15
bondtype and atomtype executables complain AMBERHOME is not set
#32
jchodera
closed
8 years ago
7
Link sqm with CC
#31
rmcgibbo
closed
9 years ago
1
Add pdb4amber to ambermini
#30
swails
closed
6 years ago
4
pdb4amber?
#29
jchodera
opened
9 years ago
3
Add Windows (Appveyor) continuous integration
#28
rmcgibbo
closed
9 years ago
0
Add continuous integration
#27
jchodera
closed
9 years ago
2
Set up appveyor
#26
jchodera
closed
9 years ago
5
Support Windows [mingw]
#25
rmcgibbo
closed
9 years ago
15
Issues with osx ambermini package
#24
jchodera
closed
9 years ago
14
tleap -h should return 0
#23
jchodera
closed
9 years ago
5
ambermini conda package still failing
#22
jchodera
closed
9 years ago
3
Add back the help flag to sqm.
#21
swails
closed
9 years ago
2
'sqm -h' fails
#20
jchodera
closed
9 years ago
3
Stop exiting with a 0 exit code in -h/-L
#19
swails
closed
9 years ago
1
Conda recipe tests fails despite succeeding
#18
jchodera
closed
9 years ago
2
Conda package tests fails despite succeeding
#17
jchodera
closed
9 years ago
0
At15
#16
swails
closed
9 years ago
4
Ran into issue with binstar build
#15
jchodera
opened
9 years ago
2
Update for AmberTools 15?
#14
jchodera
closed
9 years ago
14
Add gcc dependency to make building easier?
#13
jchodera
opened
9 years ago
9
Update strategy to keep in sync with ambertools
#12
jchodera
opened
9 years ago
3
GLIBC Hell
#11
kyleabeauchamp
closed
10 years ago
23
Update readme
#10
swails
closed
9 years ago
2
Library dependency
#9
ChayaSt
opened
10 years ago
4
Set up travis-ci to build ambermini-dev conda package
#8
jchodera
closed
9 years ago
0
Update conda recipe md5 for 14.0.1 release
#7
jchodera
closed
10 years ago
4
Xfer ownership?
#6
swails
closed
10 years ago
10
Parmchk and AMBERHOME
#5
kyleabeauchamp
closed
10 years ago
6
YACC dependency
#4
jchodera
closed
10 years ago
6
Conda packaging trial
#3
jchodera
opened
10 years ago
21
Remove $AMBERHOME dependency for am1bcc?
#2
jchodera
closed
10 years ago
6
Compile error on OS X 10.9 with macports gcc 4.5.4
#1
jchodera
closed
10 years ago
19