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TinkerTools
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tinker
Tinker: Software Tools for Molecular Design
https://dasher.wustl.edu/tinker/
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Request to include addition of hydrogens in the molxyz program
#100
Sowmya-R-Krishnan
closed
2 years ago
3
Building tinker from source in ARM64 MacOS
#99
Fplanas92
closed
2 years ago
6
angcflux parameter read and assign
#98
leucinw
closed
2 years ago
1
Compile Tinker with APBS support
#97
rwxayheee
closed
2 years ago
2
Missing istep in anneal.f
#96
NF-AMU
closed
2 years ago
1
Hydrogen positions converting PDB to XYZ
#95
peastman
closed
2 years ago
11
Activating an atom with i > n
#94
NF-AMU
closed
2 years ago
1
The website https://dasher.wustl.edu/tinker/ is down
#93
yurivict
closed
2 years ago
2
Pull request
#92
rcorrigan
closed
3 years ago
0
Bad interpolation in molecule with triple bond linear angles with minimize program
#91
misterbrandonwalker
closed
3 years ago
6
Poledit frame assignment z-then-bisector on hydrogen on aromatic ring.
#90
misterbrandonwalker
closed
3 years ago
4
angle unit change
#89
pren
closed
3 years ago
2
Add python script for BAR analysis
#88
zjing7
closed
3 years ago
0
indexing error in potential fitting
#87
zjing7
closed
3 years ago
3
Potential Crash ESP Fitting
#86
misterbrandonwalker
closed
3 years ago
1
add missing Thole damping for AMOEBA+
#85
leucinw
closed
3 years ago
0
Convert forces using OpenMM variable
#84
mquevill
closed
3 years ago
1
Error met using potential.f executable
#83
DanieleLoco
closed
3 years ago
1
Add Tinker-OpenMM CMake module and improve CMake build instructions
#82
mquevill
closed
3 years ago
0
fix the nthread variable for the serial code
#81
zhi-wang
closed
3 years ago
1
Incorrect nthread variable
#80
zhi-wang
closed
3 years ago
0
Bug in grid_mpole openmp loop
#79
JoshRackers
closed
3 years ago
6
bug fix in charge flux chain rule term
#78
leucinw
closed
3 years ago
4
Poledit issue with Phosphric acid
#77
misterbrandonwalker
closed
3 years ago
3
Fix bug for angle restraints
#76
zjing7
closed
3 years ago
2
Tinker error in array size for keeping total charge integer
#75
misterbrandonwalker
closed
3 years ago
2
MM3PRO Hessian
#74
NF-AMU
closed
3 years ago
1
NVT cannot proceed
#73
YangmeiLi
closed
3 years ago
2
echarge cscale
#72
NF-AMU
closed
3 years ago
1
poledit frame assignment error
#71
misterbrandonwalker
closed
3 years ago
4
8.8.2 fails to build: induce.f:(.text+0x19d88): undefined reference to `lusolve_'
#70
yurivict
closed
3 years ago
10
runtime error when reading "multipole" from key file
#69
zjing7
closed
3 years ago
3
Non standard residue
#68
jokurian
closed
3 years ago
3
Issue with unified AMOEBA (uAMOEBA) water model in Tinker 8.7
#67
jacekkozuch
closed
3 years ago
4
Update paper title in amoeba09.prm
#66
misterbrandonwalker
closed
3 years ago
1
pdbxyz cannot handle single amino acid
#65
misterbrandonwalker
closed
3 years ago
4
improve automated CMake build system
#64
mquevill
closed
3 years ago
2
Debug compilation issue with MMFF
#63
NF-AMU
closed
4 years ago
7
"repulsionterm only" gives zero energy and forces for periodic systems
#62
JoshRackers
closed
4 years ago
3
scan on toluene or benzene sdf files from pubchem results in a memory leak
#61
danny305
closed
4 years ago
3
fix CMakeLists.txt
#60
sailfish009
closed
4 years ago
1
Segfault when using poledit
#59
corinwagen
closed
4 years ago
2
Update cmake 0README
#58
sailfish009
closed
4 years ago
2
buildmake.py usage is incorrect
#57
mquevill
closed
4 years ago
2
Bug in repulsion energy tapering for OpenMP in erepel3
#56
JoshRackers
closed
4 years ago
1
Tinker-openMM GPU: Segmentation Fault (Core Dumped)
#55
aneesmkp
closed
4 years ago
3
Add CMake build system
#54
junghans
closed
4 years ago
1
Remove long obsolete configure files
#53
junghans
closed
4 years ago
1
intel compilers and SIGSEGV, segmentation fault
#52
mandar5335
closed
4 years ago
17
FFTW not in latest release
#51
misterbrandonwalker
closed
4 years ago
1
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