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Gromacs+CP2K, cannot find atomic number
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1
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513
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November 16, 2024
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Bond Breaking in QM/MM CP2K
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0
|
20
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August 6, 2024
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CUDA enabled Gromacs Cp2k installation error
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2
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345
|
July 14, 2024
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Gromacs2023.4 installation error with cp2k2023.2
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3
|
192
|
May 28, 2024
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CP2K mdrun abort
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0
|
89
|
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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158
|
March 5, 2024
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Gromacs not utilizing gpu
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6
|
599
|
January 20, 2024
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Recommended QMMM for Gromacs
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0
|
169
|
January 20, 2024
|
|
QM/MM - Gromacs+CP2K ERROR
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|
9
|
408
|
December 1, 2023
|
|
gromacs23.2+Cp2k23.2 installation error
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|
1
|
364
|
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
|
468
|
November 30, 2023
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|
Gromacs installation with cp2k
|
|
1
|
498
|
November 30, 2023
|
|
Mdrun : An error occurred in MPI_Allreduce
|
|
10
|
489
|
October 4, 2023
|
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QM/MM CP2K + GROMACS Running mdrun error
|
|
1
|
432
|
September 26, 2023
|
|
Installation failled
|
|
0
|
298
|
April 25, 2023
|
|
Install GROMACS with CP2K failed during make
|
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0
|
448
|
January 27, 2023
|
|
Qmmm, gromacs+cp2k
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0
|
450
|
March 9, 2023
|
|
How to install Gaussian in Ubuntu?
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0
|
544
|
February 6, 2023
|
|
Installation error GMX+CP2K on CRAY
|
|
5
|
927
|
November 6, 2022
|
|
Gromacs 2021 + cp2k
|
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2
|
370
|
October 25, 2022
|
|
Molecular Dynamics simulation of electrons
|
|
1
|
381
|
October 25, 2022
|
|
Error compiling gromacs 2022.2 with CP2K 9.1
|
|
2
|
445
|
October 25, 2022
|
|
Want to know about some options in md parameter file
|
|
1
|
260
|
October 25, 2022
|
|
QM/MM installation
|
|
1
|
440
|
October 25, 2022
|
|
Checkpoint file during QM/MM simulation using GROMACS/CP2K
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|
2
|
339
|
October 24, 2022
|
|
Warning 'QMMMscheme' and 'MMChargeScaleFactor'
|
|
2
|
964
|
October 18, 2022
|
|
Need a help in QM/MM MD simulation
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|
2
|
459
|
October 18, 2022
|
|
GROMACS+CP2K Single vs Double Precision
|
|
2
|
500
|
April 5, 2022
|
|
QMMM with Gaussian
|
|
1
|
657
|
April 5, 2022
|
|
Ligand parameterisation for CHARMM FF with CP2K
|
|
1
|
574
|
April 5, 2022
|