Skip to content
Snippets Groups Projects
Commit 61e9e629 authored by Gareth Tribello's avatar Gareth Tribello
Browse files

Added new functionality for output pdb in analysis

You can now use COLLECT_FRAMES to collect pdb data from the trajectory
and output a pdb file that contains the underlying atomic coordinates
in pdb format even if you are not using the rmsd distance to measure
the dissimilarity matrix for dimensionality reduction.  Also fixed
a number of bugs.
parent 32e150c5
No related branches found
No related tags found
Loading
Showing
with 2761 additions and 66 deletions
Loading
0% Loading or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment