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Part of the protein structure breaks after Energy Minimization
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0
|
14
|
November 6, 2025
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Distortion of My nucleosome structure while energy minimization
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3
|
31
|
November 6, 2025
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Energy minimization using only CPU (GPU not used) — GROMACS 2025.3 version used on Ubuntu
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1
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36
|
September 15, 2025
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Forces have not converged during energy minimization
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0
|
44
|
May 18, 2025
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Error during energy minimization
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4
|
52
|
April 15, 2025
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How to run a molecule which has O+ in it?
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0
|
21
|
February 12, 2025
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The first step of energy minimization cannot be carried out
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0
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31
|
January 23, 2025
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Lipid membrane energy minimization error
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0
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36
|
December 1, 2024
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Error Coordinat not matching gromacs
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32
|
367
|
October 30, 2024
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I tried to perform energy minimization using "http://www.mdtutorials.com/gmx/lysozyme/05_EM.html"
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1
|
25
|
October 5, 2024
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Second minimization
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1
|
23
|
August 28, 2024
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Issue of High Potential Energy on Running Minimization
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|
22
|
1059
|
August 20, 2024
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Fatal Error topol.tpr file not found
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|
1
|
129
|
August 16, 2024
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Atomic overlap occurs in energy minimization
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|
7
|
298
|
August 14, 2024
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Minimization issue
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4
|
64
|
August 8, 2024
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Why membrane rupture durning the energy minimization?
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2
|
31
|
July 29, 2024
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Step 13 and step 28: One or more water molecules can not be settled
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1
|
213
|
July 14, 2024
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I'm getting error as Floating point exception (core dumped) during energy minimization
|
|
11
|
697
|
June 20, 2024
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Hydrogen atom forming more than 1 bond during energy minimization
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|
3
|
82
|
June 8, 2024
|
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Why is coulomb SR energy different sign using different forcefields?
|
|
13
|
703
|
April 11, 2024
|
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Error energy minimization - Martini
|
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1
|
408
|
March 22, 2024
|
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Why minimization becomes inf?
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2
|
145
|
March 4, 2024
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Slightly negative energy minimization value
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3
|
354
|
November 21, 2023
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Minimization curve
|
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2
|
278
|
November 20, 2023
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Error in the EM run
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|
2
|
329
|
November 14, 2023
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Fatal error: step 22: water molecules starting at atom 7488 can not be settled?
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|
1
|
284
|
October 4, 2023
|
|
Ligand restraints
|
|
0
|
179
|
July 3, 2023
|
|
Energy minimization works with steepest descent but not conjugate gradient
|
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3
|
1754
|
June 22, 2023
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|
Guest molecules leaving hydrate even w/ restraints
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|
0
|
370
|
May 25, 2023
|
|
ERROR No such moleculetype NA
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|
14
|
5105
|
May 12, 2023
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