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PBC Box Failing to Expand to Input .gro File Parameters + Unwanted Position Restrained Protein
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0
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8
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May 26, 2025
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Umbrella-sampling setup of molecule permeation through interface surfactant membrane
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14
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207
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May 23, 2025
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Mdrun crashes with some md parameter during NPT (gmx compiled for rocm,AdaptiveCPP)
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8
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60
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May 22, 2025
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Studying Zn2+ tetrahedal coordination stability
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0
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10
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May 21, 2025
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How to correctly define disulfide bonds in GROMACS?
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0
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25
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May 20, 2025
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System has non-zero total charge: -1.000000
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1
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21
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May 19, 2025
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Potentials on gromacs
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0
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8
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May 16, 2025
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Splitting 100ns Gromacs runs into 25ns smaller chunks
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0
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19
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May 19, 2025
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SMD Pulling of DNA Toward Asymmetric Bilayer
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18
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135
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May 17, 2025
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How to solve "No default bond types for interaction"
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0
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4
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May 16, 2025
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PC crashes and loses video during heavy simulations on gromacs with RTX 5070 Ti
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7
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37
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May 15, 2025
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Water appearing in bilayer core during NPT
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2
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24
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May 12, 2025
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Interpretation of Nonzero 14-LJ and 14-Coul Terms for Nonbonded Groups
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7
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31
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May 8, 2025
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Density fit tutorial
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0
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16
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May 8, 2025
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Update Groups Can't Be Created for GROMACS2024
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2
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29
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May 6, 2025
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Protein-Lipid system, protein keeps flipping or jumping
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2
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32
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April 25, 2025
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+++ assertion failed: i>0 serial of an atom cannot be zero
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3
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25
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April 23, 2025
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Error in docked complex simulation
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1
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32
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April 22, 2025
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CGENFF not working
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1
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38
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April 20, 2025
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CHARMM-GUI doesn't support selenocysteine (SEC), which is essential for my protein, and I need help
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0
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21
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April 18, 2025
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PBC Artifacts in 20 bp DNA System
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0
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6
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April 16, 2025
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Gromacs Version
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5
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669
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December 6, 2024
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PBC artifact issue
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0
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23
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April 12, 2025
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Pressure coupling in system of water and gas
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1
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16
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April 11, 2025
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Adding new parameters to charmm ff for sulfur-carbon bond
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0
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12
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April 10, 2025
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Freezing Water
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1
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22
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April 9, 2025
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How to prevent two molecules from interacting with each other?
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3
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25
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April 4, 2025
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Is the frame interval important for studying the membrane properties?
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1
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8
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April 3, 2025
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Does gmx energy command "Total Energy" include bias potential when I use the pull code?
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1
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27
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April 1, 2025
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Error for protein ligand simulation in gromacs
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0
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15
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April 1, 2025
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