From: John Stone (johns_at_ks.uiuc.edu)
Date: Tue Sep 27 2005 - 09:57:34 CDT
Can you be more specific and tell us what ptraj had problems with?
If ptraj just doesn't read the DCD file, you could probably use VMD to
convert the DCD into an AMBER CRD trajectory file. I don't know if
ptraj contains byte swapping code for it's DCD reader, it might be able
to read NAMD DCD files but only those produced by same-endianness CPUs.
In any case, converting to CRD format may help you solve that problem.
On Tue, Sep 27, 2005 at 06:24:50AM -0500, Michel Espinoza-Fonseca wrote:
> Hi all,
> I would like to know if any of you have tried to analyze NAMD
> trajectories using ptraj. I just tried to do it, but ptraj does not
> Do you have any suggestions?
-- NIH Resource for Macromolecular Modeling and Bioinformatics Beckman Institute for Advanced Science and Technology University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801 Email: johns_at_ks.uiuc.edu Phone: 217-244-3349 WWW: http://www.ks.uiuc.edu/~johns/ Fax: 217-244-6078
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