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Richard Gowers

  • Registered on: 05/25/2017
  • Last connection: 04/29/2019

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04/29/2019

11:30 AM TNG trajectory library Bug #2937 (New): tng_num_frames_get reports incorrect num frames
I've converted a TRR & TPR to TNG (all attached) using trjconv. There should be 3 frames - tng_num_frames_get says t...

05/25/2017

04:40 PM GROMACS Bug #2189 (Closed): trjconv only writes a single TNG frame from trajectory
Hi,
I'm trying to convert some trr files to tng, I'm doing:
gmx trjconv -force -s two_water_gro.gro -f new.trr ...
02:43 PM TNG trajectory library Feature #2188 (Resolved): Masses missing from TNG specification
Hi,
I've been playing around with the tng format and noticed that there is no block_id for masses. For analysis t...

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