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Missing improper parameter for D-amino acid #709

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amjjbonvin opened this issue Oct 9, 2023 · 1 comment
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Missing improper parameter for D-amino acid #709

amjjbonvin opened this issue Oct 9, 2023 · 1 comment
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bug Something isn't working parameters-topologies Issues/feature requests related to the force field
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Enhancements CNS

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Describe the bug
Missing improper parameter for D-amino acid
From a failed HADDOCK2.4 server user run a missing improper for D-amino acids was identified. The issue seem to occur only when all hydrogens are kept.
@amjjbonvin amjjbonvin added the parameters-topologies Issues/feature requests related to the force field label Oct 9, 2023
@amjjbonvin amjjbonvin added this to To do in Enhancements via automation Oct 9, 2023
@amjjbonvin amjjbonvin added this to To do in CNS via automation Oct 9, 2023
@amjjbonvin amjjbonvin self-assigned this Oct 9, 2023
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Related to issue 580 in the haddock repo

amjjbonvin added a commit that referenced this issue Oct 9, 2023
@amjjbonvin
Fixes issues #709 #699 #673 bringing the topo/param files in line wit…
b53d136 
…h HADDOCK2.X
@amjjbonvin amjjbonvin mentioned this issue Oct 12, 2023
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Enhancements automation moved this from To do to Done Oct 13, 2023
CNS automation moved this from To do to Done Oct 13, 2023
@amjjbonvin amjjbonvin added the bug Something isn't working label Jan 8, 2024
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