Tcl-ChemShell
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|---|---|---|---|---|
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About the Tcl-ChemShell category
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0 | 374 | 13 September 2022 |
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Units in MD trajectory file
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1 | 11 | 15 June 2026 |
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Dealing with dummy atoms from Amber in ChemShell
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1 | 720 | 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 | 63 | 26 June 2025 |
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Umbrella sampling using Tcl-ChemShell
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0 | 233 | 7 August 2024 |
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Error when reading .c file
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0 | 372 | 12 July 2024 |
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QM/MM Geometry Optimization Error in ORCA Interface
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0 | 660 | 17 June 2024 |
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Unusual point charges in charge shifting method
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1 | 405 | 9 May 2024 |
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Problems compiling tcl-chemshell
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0 | 448 | 24 April 2024 |
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Error in running hybrid qm/mm calculation in tcl-chemshell
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0 | 354 | 22 March 2024 |
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Unable to install tcl-chemshell(v3.7.1)
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3 | 495 | 28 February 2024 |
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Parallel build validation of Tcl-Chemshell
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3 | 645 | 2 June 2023 |
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Frequency calculations
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0 | 595 | 25 May 2023 |
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Bash: chemsh: command not found
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2 | 539 | 6 January 2023 |
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Gradient calculation in Tcl-ChemShell
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2 | 559 | 3 November 2022 |