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Issues with OPLSAA force field
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2
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42
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May 10, 2024
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Phase Fraction in a Mixture
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2
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50
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May 9, 2024
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Lammps error: mpirun noticed that process rank 33 with PID 257480 on node c469 exited on signal 11
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5
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135
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May 9, 2024
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Wrong indexing in "Data Angles" of moltemplate
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3
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53
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May 9, 2024
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Cannot extract quaternions with python
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2
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36
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May 8, 2024
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Error kspace
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1
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35
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May 8, 2024
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Electric potential profile
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3
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77
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May 7, 2024
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Force along end-to-end vector
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3
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33
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May 7, 2024
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Brownian/asphere with gayberne potential of ellipsoid
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1
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47
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May 6, 2024
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How to determine whether unreasonable force field or structure leads to bond atoms missing
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2
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79
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May 5, 2024
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Discrepancies in Energy Calculation Using 'mix arithmetic' in LAMMPS Simulation
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2
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70
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May 4, 2024
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Airebo with meam & lj/cut in hybrid pair style
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8
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90
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May 3, 2024
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Error with streitz and eam/alloy potential in hybrid style
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7
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99
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May 3, 2024
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Electrodes splitting while doing NPT simulation
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4
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106
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May 2, 2024
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Structure breaks down in the simulation with LAMMPS
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4
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102
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May 1, 2024
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How to fix the error restrain atoms missing
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3
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46
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May 1, 2024
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Bond atom missing in image check (src/domain.cpp:799) and Bond atoms 5903 5904 missing on proc 0 at step 169250 (src/ntopo_bond_all.cpp:61)
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1
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53
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May 1, 2024
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Green-Kubo Simple Generic OpenSource Code/Software?
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3
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274
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April 30, 2024
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Energy minimization for Berendsen thermostat (temp/Berendsen)+ NVE
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4
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71
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April 29, 2024
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How to set the temperature in the "fix nvt" command when the molecules are partially restricted
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2
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80
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April 27, 2024
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Dipole Fluctuation Method for Water
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1
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58
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April 27, 2024
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Inquiry Regarding Centering Polymer Head in LAMMPS Movie Dump
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13
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65
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April 27, 2024
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Add fix gravity to vibration model?
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0
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171
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April 27, 2024
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Problem with fix ave/histo
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9
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106
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April 27, 2024
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Calculate MSD in a particular region of a particular type atom
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6
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128
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April 27, 2024
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How to merge two data files with different force fields
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4
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87
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April 26, 2024
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Meam potential in pair_style hybrid command
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0
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51
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April 26, 2024
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Print timestep when two atoms cross x-position
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3
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48
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April 26, 2024
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Fix bond/react: Bond type affected by reaction myrxn1 is too close to template edge
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22
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746
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April 25, 2024
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Interfacial interaction energy (IE)
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2
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62
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April 25, 2024
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