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Gromacs distance calculation between multiple atoms, is it real?
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0
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199
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December 6, 2023
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Visual Interactive Analysis of Molecular Dynamics (VIAMD)
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0
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446
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December 5, 2023
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Osmotic permeability "Pf" for water transport
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0
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69
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December 5, 2023
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Noise in structure factor
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0
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151
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December 4, 2023
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VMD problem
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2
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219
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November 30, 2023
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Gmx trjconv -fit
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4
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268
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November 29, 2023
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Gmx clustsize - clusters in the gas phase
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2
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223
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November 27, 2023
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Coordination number from RDF plot
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4
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377
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November 27, 2023
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Details of viscosity estimation (gmx energy -vis)
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2
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221
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November 24, 2023
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Is it important to repeat analysis
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1
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107
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November 22, 2023
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Forcefield recommendations for protein-ligand system
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0
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114
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November 21, 2023
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Using trjcat for bulk trajectory merging issues
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7
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197
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November 21, 2023
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Surface tension calculation of gas-liquid
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0
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112
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November 21, 2023
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Minimization curve
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2
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176
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November 20, 2023
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Gmx editconf -pbc not removing periodicity
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4
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447
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November 18, 2023
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"Floating point exception (core dumped)", when trying to clac Hbond distance
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1
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230
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November 15, 2023
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Simulated ligand with weird geometries on start.pdb(dump=0) and md_0_100.gro files
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3
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83
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November 15, 2023
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Using gmx_wham for analysis of NAMD-generated umbrella-sampling
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3
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194
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November 15, 2023
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Can anyone guide me about how I can calculate storage and loss modulus from gromacs simulation?
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0
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111
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November 10, 2023
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I want to ask how to solve this error when I run "cgenff_charmm2gmx. py"
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1
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549
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November 7, 2023
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NaN values when calculating MSD with the -mol flag
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2
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146
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November 6, 2023
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Problem during the Protein-Ligand Analysis gmx distance command
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2
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489
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October 30, 2023
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The issue of slow tpr generation speed and slow running simulation speed of 15 million atoms system
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16
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304
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October 30, 2023
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Interactions between small molecules and a graphene
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6
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324
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October 30, 2023
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Gmx rdf selection (selrpos and seltype)
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4
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312
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October 25, 2023
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MMPBSA_Error
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0
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141
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October 22, 2023
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Segmentation fault (core dumped) when generating gro file with trjconv
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1
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206
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October 20, 2023
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H-bond occupancies calculation with time
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0
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133
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October 20, 2023
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Pulling MD - pullforce has multiplie peaks
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8
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282
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October 19, 2023
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Gmx spatial
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0
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151
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October 12, 2023
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