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How to deal with the PBC of trajectory file for dsDNA
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0
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6
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May 26, 2022
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Pulling a box in X-direction at a constant rate for calculating Young's Modulus of a solid
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4
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52
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May 18, 2022
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Energy min excluded atoms
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5
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90
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May 9, 2022
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Formula for calculation of Coulomb & LJ SR & 1-4 interactions
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3
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59
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May 4, 2022
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Umbrella sampling and cylinder geometry
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3
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84
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May 3, 2022
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Regarding the non-zero charge
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1
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33
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May 1, 2022
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How to prevent impact of bilayer periodic picture on peptides?
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4
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56
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April 28, 2022
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Moving a ligand through a beta barrel membrane protein using steered MD
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6
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52
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April 28, 2022
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Nitrogen and oxygen freezing in MOF
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0
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25
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April 25, 2022
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A question about gen_seed in the log file
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4
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55
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April 20, 2022
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PME GPU does not support interpolation orders other than 4?!
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1
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47
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April 13, 2022
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Calculation of centroid distance
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2
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35
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April 11, 2022
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MD Analysis
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2
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53
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April 8, 2022
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Why is it different every time the interaction energy is calculated?
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8
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83
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April 6, 2022
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How to Apply Electric Field and Membrane Voltage Simultaneously in Membrane Protein System？
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2
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64
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April 6, 2022
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Error in missing hydrogen atoms
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2
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48
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April 4, 2022
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Trouble to apply distance restraints
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2
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94
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April 4, 2022
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Dih types error in ions adding steps in gromacs
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3
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40
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April 2, 2022
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Applying freezing and restrains to speed up MD simulation
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2
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82
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March 30, 2022
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Does freeze-grps speed up MD?
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2
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364
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March 30, 2022
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Error in Ions Adding Stage
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0
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34
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March 27, 2022
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How do I proceed with nvt mdrun step in GROMACS and solve the following error
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8
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95
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March 21, 2022
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Cut-off scheme - TraPPE-UA
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0
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43
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March 18, 2022
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Keep water away from the hydrophobic core during equilibration of membrane + inserted peptide
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1
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72
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March 12, 2022
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Cannot perform free energy calculations due to the solvent (not the solute) possessing CBT bonds?
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1
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49
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March 8, 2022
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Box distortion in simulation of an ion channel with electric field
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4
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63
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March 6, 2022
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Problem with calculating the interaction energy between two groups
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1
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59
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March 3, 2022
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Electrostatic pme/cut-off with zero partial charges
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3
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80
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March 1, 2022
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How to get the velocity of the COM of a pulling group?
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6
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160
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February 22, 2022
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Regarding the use of WCA and Attractive inteactions simultaneously
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0
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74
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February 21, 2022
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