[FEATURE REQUEST] a question about oat oxDNA_PDB -p

[HalseyWang]

Hi, I encountered this problem when using this script, how can I solve it, thank you very much!!! LOL Can this code be enabled by multi-core calculations like other codes?

oat oxDNA_PDB -p 80 1.top r1_conf.dat 53 -H usage: oxDNA_PDB.py [-h] [-o OUTPUT] [-H] [-u] [-1] [-r RMSF_BFACTOR] topology configuration direction [pdbfiles] oxDNA_PDB.py: error: unrecognized arguments: -p

Best regards, Yue

[ErikPoppleton]

Hi Yue,

This script only converts a single frame to a single frame, so there's nothing to parallelize. I suppose it could be modified to convert a trajectory to a PDB trajectory, however be warned that the output file sizes would be absolutely enormous. I'll keep it in mind, but for now this isn't high on my priorities list to implement.

[ErikPoppleton]

That being said, there was a documentation error in that oxDNA_PDB was missing from the command line interface documentation. It has been added.

[HalseyWang]

Thank you very much!