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About pmx: Automated protein structure and topology generation for alchemical perturbations
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0
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1329
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June 10, 2016
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Absolute Binding Free Energy with pmx
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5
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51
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May 24, 2023
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PMX user survey
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0
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18
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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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26
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May 11, 2023
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Make_hybrid.py list index out of range error
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11
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552
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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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58
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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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37
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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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60
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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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45
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March 22, 2023
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AMBER99SB-ILDN warning alert
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3
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54
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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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221
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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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212
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January 31, 2023
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Problem in using gentop
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12
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62
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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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87
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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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133
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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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251
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September 15, 2022
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Problem with installing with Python2
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9
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145
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September 7, 2022
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Ligand topolgies for pmx
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5
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235
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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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134
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August 14, 2022
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PMX engineered resiude
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4
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153
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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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202
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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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220
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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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191
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June 14, 2022
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Free energy calculations error
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1
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595
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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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199
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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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318
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March 30, 2022
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Error with Zn atom
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3
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248
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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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204
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March 24, 2022
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Peptide Nucleic Acid Functionality
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2
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228
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January 2, 2022
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Pmx - problems reproducing benchmarking from de Groot 2020
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2
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372
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October 17, 2021
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