Re: [AMBER] Measure distances and angles with ptraj

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Mon, 10 May 2010 07:46:55 -0400

As far as I know there is currently no way to do that in Ptraj (although
it's not a bad idea to implement). If I need something like that I just
combine post-ptraj using paste/awk.

-Dan

2010/5/10 Fernando Martín García <fmgarcia.cbm.uam.es>

> Dear amber users
>
> I have a doubt with the measurement of several distances with ptraj. In
> the same script i can measure diferents distances and angles, but i have
> to give them differents names. How can I save all the data in a single
> archive? I know how to do that with carnal, because I can declare an
> output archive.
>
> Thank you
> --
> Fernando Martín García.
> Centro de Biología Molecular "Severo Ochoa".
> C/ Nicolás Cabrera, 1.
> Campus UAM. Cantoblanco, 28049 Madrid. Spain.
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>



-- 
-------------------------
Daniel R. Roe
Postdoctoral Associate
SAS - Chemistry & Chemical Biology
610 Taylor Road
Piscataway, NJ   08854
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon May 10 2010 - 05:00:04 PDT
Custom Search