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Flat bottom potential at hydrophobic-water interface
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1
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5
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March 26, 2025
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No default bond types, rykaert bell types and more
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1
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6
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March 24, 2025
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Help me with the workstation configuration for Gromacs
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2
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13
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March 24, 2025
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LINCS error while performing pull simulations?
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17
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57
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March 18, 2025
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Assistance with Fixing a Spherical Structure in Umbrella Sampling
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0
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15
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March 17, 2025
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New to GROMACS. need help to build a membrane protein on lipid bilayer
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1
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18
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March 12, 2025
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How to simulate d-amino acids
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10
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171
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March 8, 2025
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Remove Coulomb interaction
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2
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32
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March 4, 2025
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Direct continuation of pulling after changing mdp parameters
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1
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11
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March 4, 2025
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[MD Simulation Error] Fatal PME Rank Issue: Particles Moving Out of Domain Decomposition Cell
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2
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20
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March 4, 2025
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Seeking guidance for choosing a stable and biologically relevant membrane model for CPP-Membrane-DNA
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0
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3
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March 3, 2025
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How to simulate d-amino acids by amber force field
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0
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13
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March 1, 2025
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Optimizing Production Run with GPUs and CHARMM36
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3
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49
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February 27, 2025
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CGENFF not working
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0
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16
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February 24, 2025
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Pdb file for more than 70 chains
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2
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23
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February 18, 2025
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Issue with direction-periodic and periodicity during umbrella sampling
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4
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28
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February 17, 2025
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Free energy difference is zero for non-zero coulomb-lambdas during solvation free energy calculation
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3
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22
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February 13, 2025
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How to run a molecule which has O+ in it?
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0
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13
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February 12, 2025
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Segmentation fault in MARTINI 2.2 with pulling
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16
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52
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February 12, 2025
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Position restraints for Umbrella sampling simulation of membrane protein-ligand
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6
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221
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February 11, 2025
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Pull simulations giving LINCS error
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1
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19
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February 11, 2025
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Optimizing CPU/GPU efficiency and performance in GROMACS simulations
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4
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120
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February 11, 2025
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Gromacs in docker image does not work in server
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5
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58
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February 5, 2025
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Unfolding a 574 aa protein
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0
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31
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February 3, 2025
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What is the difference between tensile MD simulation and non-equilibrium MD simulation?
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6
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86
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February 2, 2025
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Unable to generate topology for my ligand
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0
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63
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February 1, 2025
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Dehydrated bilayer simulation
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2
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31
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January 30, 2025
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DNA TOP file
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2
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27
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January 27, 2025
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No default U-B Types
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0
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46
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January 16, 2025
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How to Place a Peptide Near DNA in a Box
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0
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14
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January 27, 2025
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