Discussions

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  anout the solvate (GBSA)

  c00jsw00 asked Mar 28, 2024 in Q&A · Unanswered

  

  

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  Successful Builds

  zhi-wang started Jan 12, 2021 in General

  

  

  

  

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  Feature request: buffered printing of properties

  coffee-on-tap started Feb 22, 2024 in Ideas

  

  

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  SAVE-CYCLE not working in TINKER9?

  jacekkozuch asked Nov 13, 2023 in Q&A · Closed · Unanswered

  

  

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  Switch off RATTLE

  jacekkozuch asked Nov 13, 2023 in Q&A · Closed · Unanswered

  

  

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  Tinker9 first try out

  mircodaniel asked Sep 13, 2023 in Q&A · Answered

  

  

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  Tinker9 PRINTOUT option

  AlainWil started Aug 13, 2023 in General

  

  

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  ANNEAL

  PinkFoxK asked Jul 17, 2023 in Q&A · Unanswered

  

  

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  Simulation performance (rate) on the RTX 4090 probably can be twice faster?

  keebborg asked May 17, 2023 in Q&A · Unanswered

  

  

  

  

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  VALENCE

  jacekkozuch asked May 6, 2023 in Q&A · Unanswered

  

  

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  Determining potential/gradients at specific point in box, which is not an atom

  jacekkozuch asked Apr 18, 2023 in Q&A · Closed · Unanswered

  

  

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  Question about TESTHESS

  jacekkozuch asked Mar 30, 2023 in Q&A · Closed · Unanswered

  

  

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  compute capability 89 problem

  keebborg asked Mar 14, 2023 in Q&A · Answered

  

  

  

  

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  External Electric Fields

  jacekkozuch started Dec 3, 2022 in Ideas · Closed

  

  

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  EasyBuild for Tinker9

  jacekkozuch started Nov 3, 2021 in General

  

  

  

  

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  Script to "translate" force fields to tinker format

  jacekkozuch asked Dec 3, 2022 in Q&A · Answered

  

  

  

  

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  Writing force file from arc file

  jacekkozuch asked Jun 12, 2022 in Q&A · Answered

  

  

  

  

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  Print only specific atoms from trajectory in ARC file

  jacekkozuch started Jul 21, 2022 in General · Closed

  

  

  

  

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  Visualize MD trajectory in Pymol

  jacekkozuch asked Apr 13, 2022 in Q&A · Answered

  

  

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  Tinker pdbxyz does not take key file into account

  lukaszmilewski asked Mar 24, 2022 in Q&A · Answered

  

  

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  Exclusion list and polarization

  vwcruzeiro asked Feb 14, 2022 in Q&A · Answered

  

  

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  Problem in Running Tinker9

  cdpoon asked Jan 7, 2022 in Q&A · Answered

  

  

  

  

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  Rhombic Dodecahedron Box

  jacekkozuch asked Jan 1, 2022 in Q&A · Answered

  

  

  

  

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  Segmentation fault

  ohsOllila asked Jan 2, 2022 in Q&A · Answered

  

  

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  Tinker9: Error in make step

  larsakth asked Oct 14, 2021 in Q&A · Answered

  

  

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