Thanks a lot buddies,
it resolved the issue.
On Thu, Aug 8, 2013 at 9:04 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
> Hi,
>
> On Thu, Aug 8, 2013 at 4:24 AM, HIMANSHU JOSHI <himanshuphy87.gmail.com>
> wrote:
> > But I am not able to mask the group of atoms correctly. Eg. if I want to
> > measure the distance between the center of mass of O3' atoms of reside 10
> > 13 15 to O3' atoms of 20 25 30, what syntax should I write in ptraj input
> > file.
>
> Section 8.2.3 of the AmberTools 13 manual has a decent description of
> the mask syntax. You can specify multiple residue names/numbers in
> combination with atom names/numbers. So in your case you probably want
> something like:
>
> distance d1 :10,13,15.O3' :20,25,30.O3'
>
> Hope this helps,
>
> -Dan
>
> >
> > If some one has done this before kindly help me.
> > Thanks
> >
> > --
> > *With Regards,
> > HIMANSHU JOSHI
> > Graduate Scholar, Center for Condense Matter Theory
> > Department of Physics IISc.,Bangalore India 560012*
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
>
>
>
> --
> -------------------------
> 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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>
--
*With Regards,
HIMANSHU JOSHI
Graduate Scholar, Center for Condense Matter Theory
Department of Physics IISc.,Bangalore India 560012*
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Received on Thu Aug 08 2013 - 23:30:03 PDT
