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Difference between x2top and LigParGen ff generation (dodecane)
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1
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132
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April 26, 2024
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Topology versus initial configuration
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2
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65
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April 25, 2024
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Extrapolating LJ14 and Coul 14 entries from LJ (SR) and Coul (SR) when [ pairs_nb ] is used
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0
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223
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March 15, 2024
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Ligand Topoly for GROMOS 96
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0
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139
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March 6, 2024
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Why do we call topology files 'topology'?
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2
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193
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February 28, 2024
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MD of ionic supramolecular complex
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1
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170
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February 20, 2024
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Error in user input: Required option was not provided, and the default file 'topol' does not exist
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3
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283
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February 1, 2024
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Small rigid molecules with constraints
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4
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438
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December 10, 2023
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Regarding the topology is not created in the ATB server. how to overcome this issue?
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0
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191
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December 1, 2023
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Help with Multiplicity in Improper Dihedrals
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2
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608
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November 15, 2023
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Error in NPT
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6
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398
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November 9, 2023
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Helix unfolding despite position restraints
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0
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202
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November 7, 2023
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How to expand a manually-made topology file to account for multiple molecules?
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1
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223
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October 26, 2023
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Alchemical FEP and NBFIX
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3
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285
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October 16, 2023
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An error occurred after repairing amino acids using NIH's software "Chimera"
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1
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211
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October 8, 2023
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Incorrect atom types assignment in topology using x2top
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0
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225
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August 31, 2023
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Function type in [ bonds ] directive
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2
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491
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August 2, 2023
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