vmd

Load multiple frames into psf file in VMD


How can I open a psf file in vmd and then load for this psf file multiple frames (dcd files) using line commands only ? I have like hundreds of dcd files and I don't want to do this manually.


Solution

  • I would recommend using catdcd to join the dcd files together first. http://www.ks.uiuc.edu/Development/MDTools/catdcd/

    Then you can just load one giant dcd file with your psf file.

    To use catdcd: catdcd -o output_file.dcd file1.dcd file2.dcd ... last_file.dcd