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Gromacs-2020.x not able to detect AMD "Milan" proc
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0
|
3
|
November 25, 2020
|
|
CSh loop script-Restart the following equilibration run due to termination caused by shutdown
|
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1
|
51
|
July 19, 2020
|
|
Are NPT and NVT indispensible to start a simulation?
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2
|
49
|
November 12, 2020
|
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Two walls set up
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5
|
36
|
September 29, 2020
|
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Removing of global motion after MD
|
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2
|
50
|
May 13, 2020
|
|
Whats the appropriate pdb file for analysing cavities,channels,..with mole2 package?
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0
|
10
|
September 15, 2020
|
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GPU detection deactivated
|
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9
|
384
|
August 5, 2020
|
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Seemingly unresolvable PBC problem on protein complex
|
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1
|
57
|
September 16, 2020
|
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Installation halts at cmake
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4
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27
|
September 28, 2020
|
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Incomplete timesteps in gmx clustsize output
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0
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16
|
May 28, 2020
|
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Replica exchange
|
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1
|
58
|
November 6, 2020
|
|
LINCS error: Nose-Hoover vs V-rescale
|
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2
|
167
|
May 10, 2020
|
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Separation of velocity and coordinates from trr file
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2
|
42
|
July 30, 2020
|
|
Topology for opls
|
|
8
|
81
|
August 3, 2020
|
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Incorrect Temperature and Density with User-Defined Potentials and PME Coulomb Interactions
|
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0
|
35
|
June 1, 2020
|
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Fatal error: Residue 1 named GLN of a molecule in the input file was mapped to an entry in the topol
|
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13
|
40
|
September 28, 2020
|
|
Removing the center of mass translational velocity
|
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2
|
20
|
November 12, 2020
|
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Fail to remove the center of mass when simulate evaporation of film
|
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4
|
14
|
October 13, 2020
|
|
Building Polysaccharide from monosachharide units
|
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4
|
46
|
June 23, 2020
|
|
Viscosity of anisotropic system
|
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0
|
43
|
June 9, 2020
|
|
Fatal error: Cannot read from imput
|
|
1
|
30
|
June 2, 2020
|
|
NPT running for too long
|
|
5
|
39
|
June 10, 2020
|
|
Unstable water in tube
|
|
1
|
33
|
July 7, 2020
|
|
RX 6800 (RX 6800 XT) or RTX 3080 (RTX 3090)?
|
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0
|
1
|
November 25, 2020
|
|
External Potential Module for Pulling Simulations
|
|
1
|
14
|
November 17, 2020
|
|
Missing Harmonic Potential term when using more than 1 MPI rank
|
|
0
|
16
|
June 24, 2020
|
|
Gmx tools: Writing output to shell variable instead of file
|
|
1
|
17
|
November 13, 2020
|
|
Water/vacuum system
|
|
0
|
26
|
August 8, 2020
|
|
2020 version VS 2018 version
|
|
1
|
63
|
June 8, 2020
|
|
Selecting and rewriting trajectory for specific atom groups
|
|
1
|
63
|
July 22, 2020
|
