Re: About converting NAMD dcd file into CHARMM dcd file

From: Kenno Vanommeslaeghe (kvanomme_at_rx.umaryland.edu)
Date: Fri Jun 13 2014 - 21:18:52 CDT

As the error message suggests, this is almost certainly a mistake in your
CHARMM script, not in the trajectory.

We analyze NAMD-created trajectory files with CHARMM all the time, and
reading them directly into CHARMM just works (at least with the more
recent CHARMM versions).

On 06/13/2014 07:41 PM, Mo Chen wrote:
> Dear NAMD developers and users,
>
> I would like to ask if there is any established script that can convert
> NAMD dcd file into CHARMM dcd file for the purpose of trajectory analysis
> in CHARMM? I found this reply from the forum:
> http://www.ks.uiuc.edu/Research/namd/mailing_list/namd-l.2008-2009/4224.html
> and have tried catdcd and flipdcd to process the trajectory, and also use
> xplor psf file. However, I still got the CHARMM error message:
>
> ***** LEVEL 0 WARNING FROM <OPNLGU> *****
> ***** NO FILE NAME GIVEN
> ******************************************
> BOMLEV ( 0) IS REACHED - TERMINATING. WRNLEV IS 5
>
>
> Thank you for your help!
>
> Best regards,
> Mo

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