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QM/MM CP2K + GROMACS Running mdrun error
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0
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38
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May 2, 2023
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CP2K QM/MM simulation exiting with error "The LU factorization in dgetrf failed"
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1
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80
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April 26, 2023
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Installation failled
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0
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40
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April 25, 2023
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Gromacs+CP2K, cannot find atomic number
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0
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47
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April 15, 2023
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Install GROMACS with CP2K failed during make
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0
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114
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January 27, 2023
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Qmmm, gromacs+cp2k
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0
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56
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March 9, 2023
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How to install Gaussian in Ubuntu?
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0
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102
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February 6, 2023
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Installation error GMX+CP2K on CRAY
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5
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329
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November 6, 2022
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Gromacs 2021 + cp2k
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2
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152
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October 25, 2022
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Molecular Dynamics simulation of electrons
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1
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135
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October 25, 2022
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Error compiling gromacs 2022.2 with CP2K 9.1
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2
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191
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October 25, 2022
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Want to know about some options in md parameter file
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1
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100
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October 25, 2022
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QM/MM installation
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1
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132
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October 25, 2022
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Checkpoint file during QM/MM simulation using GROMACS/CP2K
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2
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74
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October 24, 2022
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Warning 'QMMMscheme' and 'MMChargeScaleFactor'
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2
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538
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October 18, 2022
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Need a help in QM/MM MD simulation
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2
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141
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October 18, 2022
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GROMACS+CP2K Single vs Double Precision
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2
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199
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April 5, 2022
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QMMM with Gaussian
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1
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269
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April 5, 2022
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Ligand parameterisation for CHARMM FF with CP2K
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1
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254
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April 5, 2022
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GROMACS 2022+CP2K with GPU
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2
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356
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March 29, 2022
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GROMACS 2022+CP2K 8.2 installation problem
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2
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532
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March 22, 2022
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Nvt.tpr -I couldn't manage my nvt.tpr
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2
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266
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March 16, 2022
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In QM / MM simulation, is it enough to define CNT as a quantum part to see the interaction of pi-cat
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0
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103
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January 27, 2022
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QMMM with Mopac or CPMD
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4
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468
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December 15, 2021
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Building Gromacs with MiMic QM/MM
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2
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693
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March 23, 2021
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Can I study chemical reactions using the QM/MM implemented in Gromacs?
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2
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290
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March 18, 2021
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