TinkerTools/tinker

Issues

• Units of the polarizability tensor

  #160 opened 4 months ago by FranklinHu1
  0

• Test sample aborts early when built with LTO

  #159 opened 5 months ago by eli-schwartz
  1

• https://dasher.wustl.edu/tinker/downloads/tinker-8.11.2.tar.gz has changed, is this intentional or was your system hacked?

  #157 opened 8 months ago by yurivict
  3

• OPLSAA-M torsional parameters in oplsaam.prm file.

  #149 opened 8 months ago by BernardUPSaclay
  1

• Zn ion is not getting converted

  #151 opened 8 months ago by mayank-kohli
  1

• Optimize issue with TIP5P?

  #154 opened 8 months ago by mircodaniel
  1

• cation.run attempts to run the command 'bar' without the prefix ../bin/

  #156 opened 8 months ago by yurivict
  1

• analyze issue with TIP5P

  #153 opened 9 months ago by mircodaniel
  3

• Wrong number in oplsaa.prm file

  #152 opened 9 months ago by mircodaniel
  1

• Wrong atom type for terminal Gly in multiple chains

  #148 opened a year ago by zjing7
  1

• How do I create disulfide bonds with `protein`?

  #125 opened a year ago by CanisW
  0

• Boiling point and melting point

  #137 opened a year ago by subhajitdan
  0

• Facing issue in the energy minimization of small system

  #150 opened a year ago by heman3333
  1

• Potential typo in MM3 silicon equilibrium angle

  #142 opened a year ago by philipturner
  5

• about tinker toturials

  #146 opened a year ago by Cynthia-0807
  2

• Atomic Polarizability Calculation

  #132 opened a year ago by subhajitdan
  1

• Anisotropic Polarizability

  #133 opened a year ago by subhajitdan
  1

• Query regarding use of poledit

  #147 opened a year ago by heman3333
  2

• Error in printing solute keywords in key file

  #143 opened a year ago by zjing7
  1

• PDBXYZ assigns wrong atom types for N-terminal prolines that are not in the first chain

  #141 opened a year ago by zjing7
  1

• install need glibc 2.35

  #140 opened a year ago by jintianyun56
  4

• Bug in potential fitting

  #129 opened 2 years ago by zjing7
  3

• Issue with AMOEBA

  #124 opened 2 years ago by razinzafran
  1

• Issue with xyz file generated from PDB file with Phosphoserine

  #127 opened 2 years ago by BJWiley233
  3

• possible for python API ?

  #126 opened 2 years ago by thangckt
  0

• N-terminal proline with "H2N" cap built with `protein` has two Hs on the N.

  #128 opened 2 years ago by CanisW
  3

• Failed while building

  #120 opened 2 years ago by quochung2310
  1

• neutral amino acid parameters in unpolarized force fields（eg. amber ,charmm)

  #122 opened 2 years ago by Wodnerstruck
  1

• Compiling using CMake is broken

  #123 opened 2 years ago by FHedin
  1

• xyzpdb invalid spacing on large xyz files

  #118 opened 2 years ago by BJWiley233
  3

• xyzedit option 23 program hangs on "Additional Solvation Parameters :"

  #110 opened 3 years ago by BJWiley233
  12

• No amoeba multipoles affected to a single atom

  #102 opened 3 years ago by NF-AMU
  5

• Local frame missing during potential fitting

  #115 opened 2 years ago by CanisW
  6

• Calculate elastic modulus

  #117 opened 2 years ago by libaiiiii
  1

• apbs-1.3 sourcecode

  #116 opened 2 years ago by 280239480
  2

• save-force command

  #114 opened 2 years ago by vojtechkostal
  1

• xyzedit command line arguments

  #109 opened 2 years ago by eneas77
  4

• OPLSAA parametrization of docked hit

  #107 opened 3 years ago by eneas77
  5

• Tinker-OpenMM Type Error

  #106 opened 3 years ago by emleddin
  1

• pdbxyz issues

  #105 opened 3 years ago by eneas77
  3

• Tinker pdbxyz does not take key file into account

  #103 opened 3 years ago by zhi-wang
  3

• add topics molecular-dynamics, molecular-modeling

  #101 opened 3 years ago by Beliavsky
  0

• Request to include addition of hydrogens in the molxyz program

  #100 opened 3 years ago by Sowmya-R-Krishnan
  3

• Building tinker from source in ARM64 MacOS

  #99 opened 3 years ago by Fplanas92
  6

• Compile Tinker with APBS support

  #97 opened 3 years ago by rwxayheee
  2

• Missing istep in anneal.f

  #96 opened 3 years ago by NF-AMU
  1

• Hydrogen positions converting PDB to XYZ

  #95 opened 3 years ago by peastman
  11

• Activating an atom with i > n

  #94 opened 3 years ago by NF-AMU
  1

• The website https://dasher.wustl.edu/tinker/ is down

  #93 opened 3 years ago by yurivict
  2

• Bad interpolation in molecule with triple bond linear angles with minimize program

  #91 opened 3 years ago by misterbrandonwalker
  6