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Welcome to the ChemShell forum
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1
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1042
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13 September 2022
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Problems reading CHARMM topology and parameter files with PyChemShell
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0
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115
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21 October 2024
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Issue with Convergence Criteria upon Job Restart in DL-FIND/ORCA
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1
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237
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30 August 2024
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Umbrella sampling using Tcl-ChemShell
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0
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102
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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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203
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12 July 2024
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Py-ChemShell ./test FAILED
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5
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290
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11 July 2024
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¿How can I use psi4 in chemshell?
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1
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220
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5 July 2024
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QM/MM Geometry Optimization Error in ORCA Interface
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0
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397
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17 June 2024
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Compiling Py-ChemShell-23.0.1 on RHEL Compatible OS
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22
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482
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4 June 2024
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Running ORCA in parallel with CHEMSHELL mpi version
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2
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282
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30 May 2024
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Unusual point charges in charge shifting method
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1
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246
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9 May 2024
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Problems compiling tcl-chemshell
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0
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342
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24 April 2024
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What is the license for the py-chemshell code?
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2
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233
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4 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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218
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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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313
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28 February 2024
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Py-chemshell 21.0.3 test
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15
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509
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19 July 2023
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Dealing with dummy atoms from Amber in ChemShell
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0
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478
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14 July 2023
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Chemshell 21.0.3 compilation problem
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2
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508
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21 June 2023
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Rate calculations with Py-ChemShell
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2
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535
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6 June 2023
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Parallel build validation of Tcl-Chemshell
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3
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468
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2 June 2023
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Frequency calculations
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0
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444
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25 May 2023
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Potential issue with chemsh --debug flag in Py-ChemShell 21.0.2 parallel version
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1
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493
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27 February 2023
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Convert cluster object back to cif
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1
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320
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13 February 2023
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Bash: chemsh: command not found
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2
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407
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6 January 2023
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Tool for automatically adding hydrogen atoms to dangling bonds
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1
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1226
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8 November 2022
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Gradient calculation in Tcl-ChemShell
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2
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438
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3 November 2022
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Compiling Py-ChemShell 21.0 without pip
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0
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470
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20 October 2022
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