VMD-L Mailing List

From: JC Gumbart (gumbart_at_ks.uiuc.edu)
Date: Sun Feb 12 2012 - 08:21:18 CST

While –i for input may be intuitive, it’s actually used for an index file. Try typing just “catdcd” at the command line to see the correct way to use it. Note that you will also need to give it a PSF/PDB file as well.

 

 

From: owner-vmd-l_at_ks.uiuc.edu [mailto:owner-vmd-l_at_ks.uiuc.edu] On Behalf Of Albert
Sent: Sunday, February 12, 2012 2:24 AM
To: vmd maillist
Subject: vmd-l: problem with catdcd

 

Hello:

  I am going to extract Desmond MD frames by CATDCD into a single PDB file, here is my command:

catdcd -o mytest.pdb -otype pdb -i MD_trj/clickme.dtr -first 1 -last 2000 -s MD-out.cms

but it claimed:
-----------log-------------
CatDCD 4.0
Reading indices from file 'clickme.dtr'
Error: no indices found in file.

Would you please give some advices?

thank you very much