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Transverse Current Autocorrelation Function, FV and FFV
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1
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17
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September 27, 2023
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How to add an organic molecule in an enzym's active pocket?
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2
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26
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September 27, 2023
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How can I visualize my md files on the VMD? and which files should I use?
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0
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20
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September 26, 2023
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Regarding viscosity calculation
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8
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85
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September 25, 2023
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Pulling MD - pullforce has multiplie peaks
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0
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20
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September 25, 2023
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GMX_order - Fatal error: grp 1 does not have same number of elements as grp 1
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5
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42
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September 24, 2023
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How to calculate stiffness of the interface
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0
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19
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September 23, 2023
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What can be the variation of lennard jones long range interactions between enzyme and a metal ion?
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0
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21
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September 20, 2023
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Poor ligand-protein RMSD
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1
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31
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September 14, 2023
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Mismatch between gmx energy and gmx analyze
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0
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27
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September 14, 2023
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How to know which frame of trajectory has a minimum energy in free energy landscape analysis?
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2
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398
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September 12, 2023
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Bad RMSD values from protein-ligand complex
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0
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49
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September 6, 2023
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RMSD with trjconv and -pbc no
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0
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66
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September 6, 2023
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Error on gmx com distances
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0
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65
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September 1, 2023
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MSD tool to calculate osmotic permeability
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0
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83
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August 28, 2023
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Seperating the calculation region for gmx energy -vis
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0
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73
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August 30, 2023
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Diffusion constant using gmx msd
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4
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1680
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March 1, 2022
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Time evolution of one replica with temperatures from REMD
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0
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57
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August 23, 2023
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Polymer miscibility and solubility parameters
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0
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47
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August 22, 2023
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Perform WHAM with rotation output file from enforced rotation md simulations for umbrella sampling
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4
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253
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August 21, 2023
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Issue with re-wrapping and re-centering peptide-protein system
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0
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52
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August 21, 2023
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Problem during the Protein-Ligand Analysis gmx distance command
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1
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204
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August 18, 2023
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How Do I Create several regions in a lipid bilayer to make analysis of bulk/interfacial regions
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0
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51
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August 14, 2023
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Gromacs hbond problem - 1 frame with high number of hbonds
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2
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86
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August 14, 2023
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Pressure progression after npt equilibration step
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0
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49
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August 12, 2023
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VMD Programmer Position Available (Research Programmer - Beckman Institute, University of Illinois)
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0
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66
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August 2, 2023
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What is the "Feature" meaning in gmx_clusterByFeature?
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0
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44
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July 31, 2023
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PBC correction for oligomers
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0
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52
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July 28, 2023
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Density calculation for lipid bilayer
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0
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63
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July 28, 2023
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Facing error while running cgenff_charmm2gmx.py @ GROMACS
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10
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143
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July 27, 2023
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