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June 12th, biweekly GROMACS developer meeting
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1
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95
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June 12, 2024
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Reliability of Protein Stability in Membrane System
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6
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154
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June 12, 2024
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Issues with Modified CHARMM-GUI Generated System
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3
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531
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June 11, 2024
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Force field comparison between CHARMM and AMBER99SB-ILDN
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5
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2386
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June 10, 2024
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Error in ion.mdp command
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3
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97
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June 10, 2024
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Protein-heme-ligand simulation
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6
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428
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June 10, 2024
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Issues when using -fit rot+trans
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6
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403
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June 10, 2024
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Hydrogen atom forming more than 1 bond during energy minimization
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3
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68
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June 8, 2024
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Internal compiler error while installing gromacs
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7
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509
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June 8, 2024
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Flat bottom position restraints while the production run
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0
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134
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June 8, 2024
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Tuning the gen_seed value for replicate simulation
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2
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144
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June 8, 2024
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GROMACS parameters on HPC
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0
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127
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June 7, 2024
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Simulations of non-globular proteins
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0
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63
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June 6, 2024
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Optimizing Selection of RTX 40 Series GPUs: Evaluating Performance and Cost Efficiency
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6
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415
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June 6, 2024
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Sodium ions enter the reactive site of an enzyme
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4
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105
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June 6, 2024
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Non-water solvation
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0
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88
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June 6, 2024
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Error in minimisation
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4
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122
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June 6, 2024
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System is not equillibriating well
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1
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92
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June 6, 2024
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Go Martini simulation of trans-membrane protein- coordinate number mismatch error
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2
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93
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June 6, 2024
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Dihedral Error in adding dihedral parameters and possible solution?
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2
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220
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June 6, 2024
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How can zeta potential be calculated in GROMACS?
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1
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87
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June 6, 2024
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How can I get smooth PMF from umbrella sampling
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12
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1771
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June 5, 2024
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Compile Gromacs with GPU/AdaptiveCpp support on PC
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2
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193
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June 5, 2024
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Atom N not found in buiding block 1ACE while combining tdb and rtp. How to solve it?
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1
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219
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June 5, 2024
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Equilibration of protein-lipid bilayer systems (charmm-gui mdp files)
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3
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231
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June 5, 2024
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Energy minimization of an interfacial system
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5
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264
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June 5, 2024
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Segmentation falult (core dumped
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7
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415
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June 5, 2024
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What can I do with PDB, GRO, and XTC files?
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1
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199
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June 5, 2024
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MD simulation using gromacs of Protein Ligand complex with Two Hematoms of NDP & UNK
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1
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93
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June 5, 2024
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Is 'make check' step mandatory while installing gromacs?
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3
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133
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June 5, 2024
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