Error energy minimization - Martini
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1
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30
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March 22, 2024
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Why is coulomb SR energy different sign using different forcefields?
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5
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99
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February 1, 2024
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Atomic overlap occurs in energy minimization
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2
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30
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March 14, 2024
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Why minimization becomes inf?
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2
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53
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March 4, 2024
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Issue of High Potential Energy on Running Minimization
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9
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187
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February 1, 2024
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Slightly negative energy minimization value
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3
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168
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November 21, 2023
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Minimization curve
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2
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156
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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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144
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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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160
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October 4, 2023
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Ligand restraints
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0
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122
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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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1162
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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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215
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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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3332
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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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446
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May 3, 2023
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'topol' does not exist or is not accessible
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1
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970
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April 2, 2023
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Deleting problematic water molecules from .gro files
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1
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393
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March 2, 2023
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Energy Minimisation error
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0
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327
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February 7, 2023
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Starting with same strutue, EM doesn't converged same structure(or step)
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2
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213
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January 31, 2023
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Positive potential energy after energy minimization of alcohol-water system
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2
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447
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January 3, 2023
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Minimization converges with gromacs 2021.5, but fails with gromacs 2022.2
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3
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294
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November 22, 2022
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Molecules change the shape in energy-minimization step
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1
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303
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April 28, 2022
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Minimization in vacuum without PBC
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14
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6012
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July 17, 2021
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Blowups with de novo peptides
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0
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294
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May 15, 2021
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