From: Wei Huang (whuang_at_cct.lsu.edu)
Date: Tue May 13 2008 - 21:57:01 CDT
Hi Giovanni,
Thanks! Actually I am using those two tools. I didn't realize that
catdcd can do that. I should have read the document carefully.
But to the second question. My problem is how can I output the result
after alignment into a new dcd file? I didn't find out rmsdtt can do
that.
Cheers,
Wei
On Thu, 2008-05-08 at 16:00 -0700, Giovanni Bellesia wrote:
> Hi,
>
> 1) catdcd 4.0
> http://www.ks.uiuc.edu/Development/MDTools/catdcd/
>
> 2) RMSD Trajectory Tool within VMD
> http://www.ks.uiuc.edu/Research/vmd/plugins/rmsdtt/
>
> BTW, both VMD and NAMD web pages contain a lot of information plus an
> extended set of links
> to documentation files and tutorials. Taking some time to go through
> them can be quite helpful !
>
> Giovanni
> > Dear VMD users,
> >
> > I have two question about manipulating trajectory file:
> >
> > 1) Is there any tool that can be used to convert DCD file to AMBER or
> > Gromacs trajectory file format?
> >
> > 2) How can I align the solute of my system in all my snapshots to that
> > of the first frame, and then output them into a new dcd file?
> >
> > Best,
> > Wei
> >
>
>
This archive was generated by hypermail 2.1.6 : Tue Oct 07 2008 - 19:18:28 CDT