About pmx: Automated protein structure and topology generation for alchemical perturbations
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0
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1166
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June 10, 2016
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Free energy calculations error
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0
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46
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April 14, 2022
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PMX generating protein ligand simulation system with Charmm/cgenff forcefields
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0
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35
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April 9, 2022
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Free energy calculation with double system/single box simulation
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12
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83
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March 30, 2022
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Error with Zn atom
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3
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68
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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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48
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March 24, 2022
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Peptide Nucleic Acid Functionality
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2
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95
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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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134
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October 17, 2021
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Itp ligand file generation
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3
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299
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October 14, 2021
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A non-finite potential energy in non-equilibrium transition with pmx
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2
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179
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October 1, 2021
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Alchemical free energy calculations
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1
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165
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October 1, 2021
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LINCS error during Alchemical free energy calculation
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1
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159
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September 30, 2021
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Energy minimization of hybrid ligand
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2
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259
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November 13, 2020
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Relative constraint deviation after LINCS
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6
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721
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October 9, 2020
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Dual Topology Generator for Alchemical Pathways
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1
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448
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October 9, 2020
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Make_hybrid.py list index out of range error
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2
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306
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October 9, 2020
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Installed - can't import _pmx as _p
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3
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427
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July 4, 2020
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Follow-Up from Webinar: Mutation free energy calculations with pmx
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0
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1192
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June 10, 2016
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