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Folding simulation output shows rotation and unfolding
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0
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247
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October 6, 2023
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Verlet-buffer-tolerance
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1
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385
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October 4, 2023
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PME mesh load
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4
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597
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October 3, 2023
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How to add Position restrain in .mdp file
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0
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186
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October 3, 2023
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Mdp guidelines
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1
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257
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September 21, 2023
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Box distortion in simulation of an ion channel with electric field
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13
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974
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September 20, 2023
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Anisotropic pressure setting for curvature membrane
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0
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188
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September 20, 2023
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Do I have to rerun the .xtc file obtained after using GPU acceleration?
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5
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206
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September 17, 2023
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There is an error in input file（S）
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3
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551
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September 12, 2023
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Segmentation fault - core dumped
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8
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1808
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September 11, 2023
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Bad RMSD values from protein-ligand complex
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0
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394
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September 6, 2023
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Flat-bottomed position restraints
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0
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274
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September 6, 2023
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Issue with modified residues and compressed-x-grps
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0
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216
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September 6, 2023
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Restraint atoms close to other atoms
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0
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193
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September 4, 2023
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Group Water_and_ions referenced in the .mdp file was not found
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11
|
2390
|
September 3, 2023
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COMM-removal for one group only
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2
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213
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August 25, 2023
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Should all bonds be constrained in lipid bilayer simulations with CHARMM36?
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1
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198
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August 23, 2023
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Relaxing a harmonic restraint using restraint-lambda
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0
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263
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August 22, 2023
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PMF of a small molecule across a slab that has vapor-liquid interface
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1
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295
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August 21, 2023
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Preparing input files using CHARM GUI
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0
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204
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August 18, 2023
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Stress strain profile
|
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8
|
373
|
August 16, 2023
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Using Charmm nanomaterials,gro atom names do not match itp files after a run
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0
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166
|
August 9, 2023
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Error assembling .tpr file from .mdp file for energy minimization (solved)
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3
|
361
|
August 9, 2023
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Flat-bottom potential renders an unstable system
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0
|
203
|
August 3, 2023
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HELP: Temperature MD error in High Performance Computer (HPC)
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0
|
117
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August 2, 2023
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CF(Constant force)-SMD(Steered Molecular Dynamics)
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3
|
398
|
August 1, 2023
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COM motion removal group for a ligand in membrane-protein water
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1
|
232
|
July 31, 2023
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Scaling position restraints with restraint-lambdas
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9
|
883
|
July 25, 2023
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How to use NPH ensemble in Gromacs?
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1
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236
|
July 24, 2023
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Adding user-defined mdp option
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6
|
494
|
July 10, 2023
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