did you test it?
What are the results?
On Thu, Jul 28, 2011 at 7:25 AM, Sindrila Dutta banik <
sindrila.duttabanik.yahoo.com> wrote:
> Hello!
>
> I am using ptraj to get a plot RMSD vs time for
>
> (i) Backbone of residues 1 to 420 and (ii) all nonhydrogen atoms of
> residues 1 to 420.
>
> For this I have prepared a script file as described in the user manual
> which are as follows:
>
> (i) rms first mass out BB.rms :1-420.CA,N,C [for back bone]
> (ii) rms first mass out BB.rms :1-420 [for all nonhydrogen atoms]
>
> Are the respective script files correct? Is the second one represents the
> nonhydrogen atoms or all atoms?
>
> With my best regards
> Sindrila
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--
--
Bruno Barbosa Rodrigues
PhD Student - Physics Department
Universidade Federal de Minas Gerais - UFMG
Belo Horizonte - Brazil
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Received on Wed Aug 03 2011 - 02:30:04 PDT
