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Problem with installing with Python2
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10
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451
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October 13, 2023
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Pmx ligandHybrid list index out of range error
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4
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393
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July 19, 2023
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Absolute Binding Free Energy with pmx
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5
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474
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May 24, 2023
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PMX user survey
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0
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216
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May 23, 2023
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PMX tutorial free energy sign
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1
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242
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May 11, 2023
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Pmx: possibility to run only once the dynamics of state A for A->B and A->C transformations + small question on the sign of dG
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5
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254
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May 1, 2023
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Is the pmx server running?
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2
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210
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April 17, 2023
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PMX repeatability is very poor
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8
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293
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April 4, 2023
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Janssen Ligand tutorial: why no -H2Hpolar flag in atoms_to_morph.py?
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1
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265
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March 22, 2023
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AMBER99SB-ILDN warning alert
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3
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331
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March 10, 2023
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Understanding the options of atom mapping and ligandHybrid
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57
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699
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February 23, 2023
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Oscillational period warning during tripeptide A2I forward simulation
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14
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620
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January 31, 2023
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Problem in using gentop
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12
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319
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January 20, 2023
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List index out of range when running pmx gentop
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2
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330
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December 29, 2022
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Bonds that rotated more than 30 degrees:
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1
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382
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November 3, 2022
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IndexError: list index out of range while preparing pdb file
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1
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435
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September 15, 2022
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Ligand topolgies for pmx
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5
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533
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September 1, 2022
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Pmx RBFE gives oddly large deltaG
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1
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390
|
August 14, 2022
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PMX engineered resiude
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4
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289
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July 18, 2022
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Pmx ABFE ligand only simulation set-up
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3
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481
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July 18, 2022
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Using pmx genlib and hybrid topologies
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3
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512
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July 11, 2022
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PMX generating protein ligand simulation system with Charmm/cgenff forcefields
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1
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490
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June 14, 2022
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Free energy calculations error
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1
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1549
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June 14, 2022
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Free Energy Calculation: State B has non-zero total charge: -1.000000
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1
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408
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June 14, 2022
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Free energy calculation with double system/single box simulation
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12
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537
|
March 30, 2022
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Error with Zn atom
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3
|
419
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March 29, 2022
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Problem with SS bridges - Bug?
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3
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328
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March 24, 2022
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Peptide Nucleic Acid Functionality
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2
|
425
|
January 2, 2022
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Pmx - problems reproducing benchmarking from de Groot 2020
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2
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683
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October 17, 2021
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Itp ligand file generation
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3
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986
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October 14, 2021
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