Gromacs+CP2K, cannot find atomic number
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|
2
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550
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February 9, 2025
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QM/MM - Gromacs+CP2K ERROR
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11
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535
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December 25, 2024
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CP2K2023.2/GROMACS2024.4 interface + Colvars behaviour
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0
|
35
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December 15, 2024
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Bond Breaking in QM/MM CP2K
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0
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46
|
August 6, 2024
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CUDA enabled Gromacs Cp2k installation error
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2
|
404
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July 14, 2024
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Gromacs2023.4 installation error with cp2k2023.2
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3
|
235
|
May 28, 2024
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CP2K mdrun abort
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0
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124
|
May 7, 2024
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How to restart a QM/MM MD run cp2k/gromacs
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1
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190
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March 5, 2024
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Gromacs not utilizing gpu
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6
|
660
|
January 20, 2024
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Recommended QMMM for Gromacs
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0
|
194
|
January 20, 2024
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gromacs23.2+Cp2k23.2 installation error
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|
1
|
381
|
November 30, 2023
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CP2K QM/MM simulation exiting with error "The LU factorization in dgetrf failed"
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2
|
518
|
November 30, 2023
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Gromacs installation with cp2k
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|
1
|
573
|
November 30, 2023
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Mdrun : An error occurred in MPI_Allreduce
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|
10
|
626
|
October 4, 2023
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QM/MM CP2K + GROMACS Running mdrun error
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|
1
|
469
|
September 26, 2023
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Installation failled
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0
|
304
|
April 25, 2023
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Install GROMACS with CP2K failed during make
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0
|
474
|
January 27, 2023
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Qmmm, gromacs+cp2k
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|
0
|
485
|
March 9, 2023
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How to install Gaussian in Ubuntu?
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0
|
571
|
February 6, 2023
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Installation error GMX+CP2K on CRAY
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|
5
|
975
|
November 6, 2022
|
Gromacs 2021 + cp2k
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|
2
|
377
|
October 25, 2022
|
Molecular Dynamics simulation of electrons
|
|
1
|
387
|
October 25, 2022
|
Error compiling gromacs 2022.2 with CP2K 9.1
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|
2
|
465
|
October 25, 2022
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Want to know about some options in md parameter file
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|
1
|
264
|
October 25, 2022
|
QM/MM installation
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|
1
|
482
|
October 25, 2022
|
Checkpoint file during QM/MM simulation using GROMACS/CP2K
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|
2
|
387
|
October 24, 2022
|
Warning 'QMMMscheme' and 'MMChargeScaleFactor'
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|
2
|
994
|
October 18, 2022
|
Need a help in QM/MM MD simulation
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|
2
|
501
|
October 18, 2022
|
GROMACS+CP2K Single vs Double Precision
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|
2
|
539
|
April 5, 2022
|
QMMM with Gaussian
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|
1
|
716
|
April 5, 2022
|