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About the Tcl-ChemShell category
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0
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381
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13 September 2022
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DL_POLY limitation with CHARMM Drude torsions in ChemShell polarizable QM/MM
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0
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58
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9 July 2026
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Units in MD trajectory file
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1
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64
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15 June 2026
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Dealing with dummy atoms from Amber in ChemShell
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1
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763
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15 June 2026
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Tcl-ChemShell + ORCA QM/MM job stops before ORCA launches — “@%FORMAT(3E24.16) / 18” message
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0
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94
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26 June 2025
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Umbrella sampling using Tcl-ChemShell
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0
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260
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7 August 2024
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Error when reading .c file
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0
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404
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12 July 2024
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QM/MM Geometry Optimization Error in ORCA Interface
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0
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690
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17 June 2024
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Unusual point charges in charge shifting method
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1
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443
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9 May 2024
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Problems compiling tcl-chemshell
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0
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466
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24 April 2024
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Error in running hybrid qm/mm calculation in tcl-chemshell
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0
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392
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22 March 2024
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Unable to install tcl-chemshell(v3.7.1)
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3
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535
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28 February 2024
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Parallel build validation of Tcl-Chemshell
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3
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667
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2 June 2023
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Frequency calculations
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0
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616
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25 May 2023
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Bash: chemsh: command not found
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2
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565
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6 January 2023
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Gradient calculation in Tcl-ChemShell
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2
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570
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3 November 2022
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