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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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28
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September 15, 2025
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Forces have not converged during energy minimization
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0
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39
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May 18, 2025
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Error during energy minimization
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4
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45
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April 15, 2025
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How to run a molecule which has O+ in it?
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0
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18
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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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28
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January 23, 2025
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Lipid membrane energy minimization error
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0
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34
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December 1, 2024
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Error Coordinat not matching gromacs
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32
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343
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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
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20
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October 5, 2024
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Second minimization
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1
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19
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August 28, 2024
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Distortion of My nucleosome structure while energy minimization
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2
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20
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August 26, 2024
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Issue of High Potential Energy on Running Minimization
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22
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1028
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August 20, 2024
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Fatal Error topol.tpr file not found
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1
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119
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August 16, 2024
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Atomic overlap occurs in energy minimization
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7
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286
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August 14, 2024
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Minimization issue
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4
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58
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August 8, 2024
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Why membrane rupture durning the energy minimization?
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2
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28
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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
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211
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July 14, 2024
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I'm getting error as Floating point exception (core dumped) during energy minimization
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11
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688
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June 20, 2024
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Hydrogen atom forming more than 1 bond during energy minimization
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3
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72
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June 8, 2024
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Why is coulomb SR energy different sign using different forcefields?
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13
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688
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April 11, 2024
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Error energy minimization - Martini
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1
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406
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March 22, 2024
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Why minimization becomes inf?
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2
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144
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March 4, 2024
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Slightly negative energy minimization value
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3
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350
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November 21, 2023
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Minimization curve
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2
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276
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November 20, 2023
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Error in the EM run
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2
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326
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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
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281
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October 4, 2023
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Ligand restraints
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0
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178
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July 3, 2023
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Energy minimization works with steepest descent but not conjugate gradient
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3
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1736
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June 22, 2023
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Guest molecules leaving hydrate even w/ restraints
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0
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365
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May 25, 2023
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ERROR No such moleculetype NA
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14
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5071
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May 12, 2023
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Tutorial 2: KALP15 in DPPC EM problem
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1
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1005
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May 3, 2023
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