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Failing tests Gromacs 2021.1
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0
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9
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May 4, 2021
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Viscosity calculation gmx energy
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0
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12
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May 4, 2021
|
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Is there any differences between gmx hbond and g_hbond?
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3
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18
|
May 4, 2021
|
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Freezegrps in ions.mdp - Segmentation fault (Core dumped) error
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1
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14
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May 4, 2021
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NVE Simulation Parameters
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2
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28
|
May 4, 2021
|
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Inquiries about Electrostatic potential analysis by the gmx_potential tool
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1
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23
|
May 4, 2021
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Results of umbrella sampling
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3
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38
|
May 4, 2021
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Number of pair interactions
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0
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13
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May 3, 2021
|
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Pressure .edr output in equilibrium NVT simulation with position restraints
|
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4
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19
|
May 3, 2021
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self-assembly treatment
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2
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14
|
May 3, 2021
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Problem with gmx energy
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5
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39
|
May 3, 2021
|
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Autocorrelation function of radius of gyration
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5
|
63
|
May 3, 2021
|
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Pressure scaling more than 1%
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3
|
32
|
May 3, 2021
|
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Adding SEP parameter to AMBER99SB.ff
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11
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39
|
May 3, 2021
|
|
Efficiency low
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2
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20
|
May 3, 2021
|
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Free energy perturbation - mdp parameters
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2
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32
|
May 2, 2021
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Atypical nucleotides missing in the newest versions of CHARMM36
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4
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28
|
April 30, 2021
|
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How to calculate average coordinate over all the time steps
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2
|
31
|
April 30, 2021
|
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Effect of ewald-rtol on accuracy of the PME calculation?
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1
|
15
|
April 30, 2021
|
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Pull Code operation
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0
|
21
|
April 30, 2021
|
|
How to pull a molecule across a bilayer with fixed boundaries?
|
|
7
|
44
|
April 30, 2021
|
|
Errors in Installation of Gromacs 2021 by Intel Compilers
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0
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13
|
April 29, 2021
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Gromacs 2021.1 installation, make check fails at Mdrun Mpi Coordination Tests and regression tests
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13
|
100
|
April 29, 2021
|
|
Severe artifacts with PME during free energy calculations
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|
2
|
18
|
April 29, 2021
|
|
Drift in the COM coordinates (and box size) of the membrane along the z-axis during WT-METAD run
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3
|
26
|
April 29, 2021
|
|
Installation
|
|
5
|
76
|
April 29, 2021
|
|
Generate a file containing atom charges informations. (like .pqr)
|
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3
|
18
|
April 29, 2021
|
|
Bond Distribution for Polymer Melt
|
|
4
|
19
|
April 29, 2021
|
|
How to obtain water cluster index file?
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1
|
15
|
April 29, 2021
|
|
invalid order of directives cmaptype
|
|
1
|
13
|
April 29, 2021
|
