Re: [AMBER] Query regarding rms2d with cpptraj

From: HM <scienceamber.gmail.com>
Date: Mon, 21 Jan 2013 18:04:10 +0100

Thank Daniel,
So many silly mistakes. :-) . I will take care next time.

Thanks,
HM

On Mon, Jan 21, 2013 at 5:51 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:

> Hi,
>
> There are some issues with your input; hopefully cpptraj at least gave
> you some Warnings and/or Errors; let me know if this is not the case.
>
> On Mon, Jan 21, 2013 at 9:41 AM, HM <scienceamber.gmail.com> wrote:
> > rmsd2d first rmsout test.2drms.gnu .C,CA,N time 1
>
> The command is either 'rms2d' or '2drms'. Since 2drms takes the rms of
> every structure to every other structure, specifying a reference
> ('first') doesn't mean anything. Also, your mask is incorrect; you
> need a '.' to select atoms, not '.', so the command should look like:
>
> 2drms rmsout test.2drms.gnu .C,CA,N
>
> -Dan
>
> >
> > But there is no output . :-(
> >
> > Thanks,
> > HM
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>
>
>
> --
> -------------------------
> Daniel R. Roe, PhD
> Department of Medicinal Chemistry
> University of Utah
> 30 South 2000 East, Room 201
> Salt Lake City, UT 84112-5820
> http://home.chpc.utah.edu/~cheatham/
> (801) 587-9652
> (801) 585-9119 (Fax)
>
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Received on Mon Jan 21 2013 - 09:30:02 PST
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