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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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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
[regression] Version 8.7.1 fails to link: undefined reference to `dfftw_init_threads_', etc
#50
yurivict
closed
5 years ago
12
When using xyzpdb, box parameters were not added
#49
nabraham47
closed
5 years ago
1
Add a subroutine that computes the numeric version of echarge2c
#48
nabraham47
closed
5 years ago
1
OPLSAA atomtypes from pdbxyz
#47
S0S-90
closed
5 years ago
2
Tinker-OpenMM non-orthogonal boxes
#46
zjing7
closed
5 years ago
1
Tinker installation in linux system
#45
DDGmichigan
closed
5 years ago
1
Internal Error: get_unit(): Bad internal unit KIND
#44
njzjz
closed
5 years ago
1
fixed tcgstuf.f and buildmake.py
#43
zhi-wang
closed
5 years ago
0
echarge2.f PME charge-charge does not include reciprocal space
#42
nabraham47
closed
5 years ago
1
fix the polar virial
#41
zhi-wang
closed
6 years ago
0
improvements in Tinker-OpenMM interface & shakeup
#40
zhi-wang
closed
6 years ago
0
dynamic_omm hangs with no output
#39
leeping
closed
6 years ago
25
Placeions
#38
JoshRackers
closed
6 years ago
0
updates to TINKER 8.4.3 to support linking with the current version of APBS on GitHub
#37
mjschnie
closed
1 month ago
0
Update born.f
#36
mjschnie
closed
6 years ago
1
trudge.f lot of errors
#35
amrhamedp
closed
5 years ago
1
Anisotropic polarizabilities
#34
andysim
opened
7 years ago
1
Fix reciprocal polarization energy with PME
#33
andysim
closed
7 years ago
2
Issues with vibrate executable on AMOEBA parameterized crystals
#32
nabraham47
closed
7 years ago
0
Questions about atom-specific buckingham and switch from exp-6 to 12-6?
#31
mrshirts
closed
7 years ago
1
OMM interface fix
#30
andysim
closed
7 years ago
0
Poledit 'priority' function
#29
rtb1c13
closed
7 years ago
1
Fix crashing NVE - return before thermostat
#28
jag1g13
closed
7 years ago
1
rigid body simulation
#27
Tron-x
closed
7 years ago
1
Isokinetic
#26
Brendanbc1
closed
8 years ago
0
dynamic_omm compile error
#25
ever4cyth
closed
8 years ago
7
dynamic_omm compatibility with release OpenMM
#24
rtb1c13
closed
7 years ago
1
Fixed Makefile
#23
kratman
closed
8 years ago
0
isokinetic integrator question
#22
swails
closed
7 years ago
4
Delete libtinker, since it should not be tracked.
#21
swails
closed
8 years ago
1
Multipole moments with cutoffs
#20
kratman
closed
8 years ago
0
Small fix to OpenMM torsion assignment
#19
swails
closed
9 years ago
5
I el scf
#18
dmargul
closed
7 years ago
1
combined some files
#17
dmargul
closed
9 years ago
0
Isokinetic
#16
dmargul
closed
9 years ago
0
removed some files to simplify future makefile
#15
dmargul
closed
9 years ago
0
Isokinetic
#14
dmargul
closed
9 years ago
0
some bug fixes
#13
dmargul
closed
9 years ago
0
XM-RESPA addition
#12
dmargul
closed
9 years ago
0
change in bath.f
#11
dmargul
closed
9 years ago
0
Isokinetic
#10
dmargul
closed
9 years ago
0
Multiple Time Step Integration with AMOEBA
#9
dmargul
closed
9 years ago
3
Fix omm
#8
swails
closed
9 years ago
2
ifabp test fails with TINKER v7.1.2 built with ifort v15.0.1
#7
boegel
closed
7 years ago
2
Isokinetic and Stochastic Isokinetic Dynamics
#6
dmargul
closed
9 years ago
0
Isokinetic and Stochastic Isokinetic Thermostats/Integrators
#5
dmargul
closed
10 years ago
0
Isokinetic
#4
dmargul
closed
10 years ago
0
Testgrad program needs to loop over archive structures.
#3
leeping
closed
10 years ago
1
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