VMD-L Mailing List
From: Huong Vu (vuhuongiop_at_gmail.com)
Date: Wed Oct 02 2013 - 12:21:04 CDT
- Next message: John Stone: "Re: convert dcd file to xyz"
- Previous message: Josh Vermaas: "Re: ffTK dihedral fitting question and cmap derivation"
- Next in thread: John Stone: "Re: convert dcd file to xyz"
- Reply: John Stone: "Re: convert dcd file to xyz"
- Reply: Axel Kohlmeyer: "Re: convert dcd file to xyz"
- Reply: Josh Vermaas: "Re: convert dcd file to xyz"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]
Hi,
I am trying to use Catdcd to convert a dcd file to xyz.
catdcd -o test.xyz -otype xyz test.dcd
However I got this:
CatDCD 4.0
Cannot write timesteps in 'xyz' format without structure file.
After trying to add pdb file or psf file to the inputfiles, I still get the
same result. Does that means that I can not convert dcd file to xyz by
Catdcd?
Any help is highly appreciated.
Thanks,
Huong.
- Next message: John Stone: "Re: convert dcd file to xyz"
- Previous message: Josh Vermaas: "Re: ffTK dihedral fitting question and cmap derivation"
- Next in thread: John Stone: "Re: convert dcd file to xyz"
- Reply: John Stone: "Re: convert dcd file to xyz"
- Reply: Axel Kohlmeyer: "Re: convert dcd file to xyz"
- Reply: Josh Vermaas: "Re: convert dcd file to xyz"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]