<Screenshot from 2022-06-04 15-38-00.png>Regards,
Camps
--
You received this message because you are subscribed to the Google Groups "MDnalysis discussion" group.
To unsubscribe from this group and stop receiving emails from it, send an email to mdnalysis-discus...@googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/mdnalysis-discussion/9021405a-9583-449b-b028-ef251aa867a8n%40googlegroups.com.
<Screenshot from 2022-06-04 15-38-00.png>
On Jun 8, 2022, at 7:11 AM, I. Camps <ica...@gmail.com> wrote:Hello Oliver,Using the test data I got the same errors.
I don't have a clue about how to provide the order=“f” kwarg to the Universe, sorry for that ;(Hi,I am not quite sure why the MemoryReader transfer would have broken between releases. Are you able to reproduce the issue with some of our test trajectories such asfrom MDAnalysisTests import datafiles as datau = mda.Universe(data.TPR, data.XTC)Also, did you check if you can provide the order=“f” kwarg to the Universe… I am sorry I don’t have time to check the docs or try it.OliverOn Jun 4, 2022, at 11:39 AM, I. Camps <ica...@gmail.com> wrote:Hello,I was using the code below to get the dried trajectories with MDAnalysis v2.1dev:complexx_temp = u2.select_atoms(sel_prot, sel_lig)
# New Universe just with protein+ligand (dry)
u = mda.Merge(complexx_temp).load_new(
AnalysisFromFunction(lambda ag: ag.positions.copy(),
complexx_temp).run().results,
format=MemoryReader)After upgrading my Ubuntu, my conda MDAnalysis enviroment stop working (even after deleting/removing/re-installing), so I installed MDAnalysis directly on my system using pip (now I have v2.2).With the new version, I am not able to run the code above, returning some errors.I appreciate any help!<Screenshot from 2022-06-04 15-38-00.png>Regards,
Camps
--
You received this message because you are subscribed to the Google Groups "MDnalysis discussion" group.
To unsubscribe from this group and stop receiving emails from it, send an email to mdnalysis-discus...@googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/mdnalysis-discussion/767b404e-e42d-40c9-b7dc-4f04373a7aacn%40googlegroups.com.