AMBER Archive (2008)

Subject: Re: AMBER: ptraj - read in part of trajectory

From: Vlad Cojocaru (Vlad.Cojocaru_at_eml-r.villa-bosch.de)
Date: Fri Jun 27 2008 - 11:59:14 CDT

Hi Seth,

trajin [file] [frame1] [frame2] [offset]

frame1 = initial frame to be analysed
drame2 = final frame to be analysed
offset = the interval between frames to be analysed

page 246 of AMBER 9 manual (or 84 of the new Amber Tools manual) should
be clear enough on that...

vlad

Seth Lilavivat wrote:
> Dear Amber users,
>
> I am using ptraj to analyze a trajector. I believe this is a simple
> question... but is there a way to analyze part of a trajectory? For
> example, if my entire trajectory is 20ns but I only want to analyze
> the first 1 or 2 ns. What would be the ptraj command to do this?
>
> Thanks,
> Seth 

-- 
----------------------------------------------------------------------------
Dr. Vlad Cojocaru

EML Research gGmbH
Schloss-Wolfsbrunnenweg 33
69118 Heidelberg

Tel: ++49-6221-533266
Fax: ++49-6221-533298

e-mail:Vlad.Cojocaru[at]eml-r.villa-bosch.de

http://projects.villa-bosch.de/mcm/people/cojocaru/

----------------------------------------------------------------------------
EML Research gGmbH
Amtgericht Mannheim / HRB 337446
Managing Partner: Dr. h.c. Klaus Tschira
Scientific and Managing Director: Prof. Dr.-Ing. Andreas Reuter
http://www.eml-r.org
----------------------------------------------------------------------------

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
      to majordomo_at_scripps.edu