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Visualization of DL POLY CLASSIC HISTORY file in VMD
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0
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20
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September 10, 2026
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Hello. I am a student working on molecular dynamics. For my master’s project, I want to simulate an epoxy resin. To do this, I tried to create an EPON–DETDA resin using ASE, and then introduce a CNT in the middle of the system. Now, I would like some help
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0
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54
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December 3, 2025
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get ionic temperature and electronic temperature in ttm
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2
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566
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February 17, 2024
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R_14 > neigh%cutoff in dihedrals_forces
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0
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180
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January 30, 2024
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Dl_poly
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0
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302
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May 17, 2023
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Failed to generate opt run
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0
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330
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March 25, 2023
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Ask for help
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0
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413
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February 11, 2023
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Segmentation fault - invalid memory reference
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0
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698
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May 11, 2022
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PDRA @ Queen Mary University London,
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0
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387
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May 2, 2022
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Re: Fortran runtime error: Expected P edit descriptor in format
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0
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408
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April 28, 2022
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Config file format
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0
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785
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April 20, 2022
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name in process list
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0
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421
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January 19, 2022
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Simulation aborted due to Fortran runtime error
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1
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426
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November 17, 2021
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MSD simulations
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0
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581
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November 9, 2021
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core-shell problem with equilibration
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1
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552
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November 4, 2021
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Segmentation fault
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2
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492
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November 1, 2021
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Sanderson/User defined interatomic potential
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3
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450
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October 19, 2021
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DLPOLY4 / node/domain decomposition
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2
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641
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October 19, 2021
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Simulation of H2 with two sites model
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5
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442
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September 23, 2021
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the simulation of models with oxygen vacancies
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3
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467
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September 22, 2021
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OpenKIM Seeking Computational Researcher
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0
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356
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August 19, 2021
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Re: Issues with Simulation Speed
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0
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404
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August 7, 2021
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Issues with Simulation Speed
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1
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485
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August 3, 2021
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Van der Waals interactions neighbours list & scale factor
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4
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874
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August 2, 2021
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Simulating strain
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0
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365
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July 9, 2021
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Puzzling pseudothermostats in DL_POLY
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0
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371
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June 3, 2021
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how to Fix the parameter mxexcl
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0
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468
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June 3, 2021
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inaugural TYC-MMM "Software Spotlight"
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0
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447
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May 5, 2021
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NVE simulations in DLPOLY Classic 1.10
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2
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539
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May 3, 2021
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DPD model of multi-walled carbon nanotubes
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8
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581
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April 23, 2021
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