makson96/Dynamics

Issues

• Port to PyQt5

  #93 opened 7 years ago by makson96
  2

• Missing parentheses in call to 'print'

  #104 opened 2 years ago by sean-smith
  1

• Plugin coded using Python2, PyMol2.5 runs with Python3

  #103 opened 2 years ago by moritzgls
  1

• Gromacs : /bin/sh: gmx: command not found

  #101 opened 4 years ago by christianpoirier
  1

• unable to start GROMACS plugin

  #102 opened 3 years ago by anu-bioinfo
  1

• PyMOL-2.5.0a0/Gromacs / TK Error

  #99 opened 4 years ago by spmolnar
  3

• Plugin crashes with GROMACS with MPI

  #97 opened 6 years ago by makson96
  0

• Default implicit solvent fails with GROMACS 2018

  #96 opened 6 years ago by makson96
  1

• Add client<->server communication

  #75 opened 9 years ago
  1

• Docking

  #76 opened 9 years ago
  2

• Automated testing

  #85 opened 8 years ago
  1

• Compatibility for PyMOL 2.0

  #92 opened 7 years ago by makson96
  2

• Better GROMACS error handling

  #91 opened 7 years ago by makson96
  0

• Transfer software to private account

  #90 opened 7 years ago by makson96
  0

• Plugin fails simulation on protein-ligand complex system

  #86 opened 7 years ago
  0

• concatenate error

  #89 opened 7 years ago by ever4cyth
  0

• Plugin compatibility between Pymol on Windows and Gromacs on Windows 10 WSL

  #88 opened 7 years ago by ggotthar
  1

• Rethink save/load projects

  #62 opened 10 years ago
  2

• Release 2.1

  #67 opened 7 years ago
  0

• Fix importing saves from plugin 2.0 to 2.1

  #87 opened 7 years ago
  0

• GROMACS 5.0 will not work with "ns_type = simple"

  #84 opened 7 years ago
  0

• Make it work on Mac OS X

  #54 opened 7 years ago
  6

• Vectors length approximation

  #51 opened 11 years ago
  0

• Add genion support

  #83 opened 8 years ago
  1

• Work with Gromacs 2016.1?

  #79 opened 8 years ago by rjrich
  2

• 'nstxout' error in GROMACS when changing simulation time

  #81 opened 8 years ago by mtrellet
  1

• Make tk window with information about missing GROMACS

  #82 opened 8 years ago
  0

• Add support for GROMACS 5.1

  #71 opened 8 years ago
  2

• No such file or directory error when using positional restraints from PyMol selection

  #80 opened 8 years ago by mtrellet
  1

• MD run with interchain disulfide bond

  #78 opened 8 years ago by clinntt
  1

• gmx_mpi not detected

  #74 opened 8 years ago by hackerzone85
  1

• Plugin not working as normal user

  #77 opened 8 years ago by pratik-narain
  5

• Remove support for GROMACS 4.x

  #72 opened 8 years ago
  0

• problem in pymol-1.8

  #73 opened 9 years ago by albumns
  1

• GROMACS 5 on OpenSUSE does not symlink gmx

  #69 opened 9 years ago
  0

• Do not try to use GROMACS if not detected

  #70 opened 9 years ago
  0

• in save_options global name 'vectors_prody' is not defined

  #68 opened 10 years ago
  0

• Release 2.0

  #63 opened 10 years ago
  3

• Vectors configuration

  #50 opened 10 years ago
  4

• GROMACS 5.X support

  #66 opened 10 years ago
  1

• IndexError: list index out of range

  #65 opened 10 years ago by leonqli
  0

• function create_config_files()

  #64 opened 10 years ago by leonqli
  0

• Disable water box configuration, when implicit solvent is on.

  #61 opened 10 years ago
  0

• Marking important things on display

  #60 opened 11 years ago
  0

• Perform MD even if EM and PR is not performed.

  #59 opened 11 years ago
  0

• Block STOP button after Fatal Error

  #49 opened 11 years ago
  0

• In calculation window add option to view full log.txt

  #58 opened 11 years ago
  0

• When you stopped calculations the progress bar is blinking

  #57 opened 11 years ago
  0

• Mode Vectors

  #56 opened 11 years ago by saraboch
  0

• Exception in Tk callback after simulation finished

  #53 opened 11 years ago by saraboch
  2