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Problem in generating topology file for nanoporous MoS2 membrane
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0
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30
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July 10, 2024
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Conversion of sigma and epsilon values to C6 and C12 values
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1
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101
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July 10, 2024
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Performance Comparison Between GROMACS SMP and MPI Versions
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0
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17
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July 9, 2024
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Grommp error
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1
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35
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July 9, 2024
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ImportError: cannot import name 'gcd' from 'fractions'
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9
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4593
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July 8, 2024
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Hdb and rtp file generation
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1
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131
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July 8, 2024
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Perform WHAM with rotation output file from enforced rotation md simulations for umbrella sampling
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13
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685
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July 8, 2024
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Question Regarding gmx RMSF
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4
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106
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July 8, 2024
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Inconsistent shifts over periodic boundaries in a molecule type consisting of 4 atoms
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5
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62
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July 8, 2024
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Help to fix the error during gromacs installation with cuda
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3
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184
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July 8, 2024
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Gromacs installation error-make check
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4
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846
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July 8, 2024
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2023 release+cuFFTMp报错
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0
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48
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July 8, 2024
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53 particles communicated to PME rank 1 are more than 2/3 times the cut-off out of the domain decomp
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1
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101
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July 8, 2024
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Visco.xvg and evisco.xvg
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3
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992
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July 8, 2024
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Gedit WARNING in GROMACS
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1
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34
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July 7, 2024
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Topol.top file not generating
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1
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54
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July 7, 2024
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Fix error for file creation
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9
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70
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July 7, 2024
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Standard library logic error (bug): (exception type: St12length_error) vector::_M_default_append
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4
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300
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July 6, 2024
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.gro no match .top
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3
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32
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July 5, 2024
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Does double peak affect the simulation result of umbrella sampling?
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14
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105
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July 5, 2024
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Fatal error: Box was shifted at least 10 times. (after using packmol)
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0
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87
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July 5, 2024
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Minimization with flexible water in Charmmff
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0
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40
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July 5, 2024
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Normal and extremely slow simulation with the same input, what could be wrong?
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4
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728
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July 5, 2024
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Atom OP3 in residue DA 1 was not found in rtp entry DA5 with 30 atoms while sorting atoms
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2
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135
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July 5, 2024
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Build the Topology (adding .prm and .itp)
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3
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367
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July 4, 2024
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Segmentation Fault, Error during `gmx grompp`
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1
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1021
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July 5, 2024
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Gromacs Installation with GPU Support Error
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1
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67
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July 5, 2024
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PCA analysis
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7
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336
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July 4, 2024
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Force Extraction
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2
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44
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July 4, 2024
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Simulation running with no output printing
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1
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84
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July 4, 2024
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