Hi Vlad,
You can check the vector command in PTRAJ to get the box parameters from
trajectories.
anand
)))))
(((((
( O O )
-------oOOO--(_)--OOOo-----------------------------------------------------
o
ANANDA RAMA KRISHNAN .S
PhD Student
c/o. Dr. Rudolf Friedemann
Department of organic chemistry
Martin Luther university
Kurt-mothes-str.2
D-06120 Halle (saale),Germany
e-mail: ananda.selvaraj.chemie.uni-halle.de
Ph(lab) : (+int) 345 - 5525683
Ph(home) : (+int) 345 - 6802623
o
.oooO
( ) Oooo.
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\_) ) /
(_/
----- Original Message -----
From: Vlad Cojocaru <Vlad.Cojocaru.eml-r.villa-bosch.de>
Date: Tuesday, June 6, 2006 4:13 pm
Subject: AMBER: calculating box dimensions during MD
> Dear Amber users,
>
> Could somebody give me a hint how can I plot the evolution of box
> dimensions during MD trajectories?
>
> Also, maybe some of you know how can one monitor the TEMP in
> subparts of
> the system....
>
> Thanks in advance
> Best wishes
> vlad
>
> --
> Dr. Vlad Cojocaru
> EML Research gGmbH
> Molecular and Cellular Modeling Group
> Schloss-Wolfsbrunnenweg 33
> 69118 Heidelberg, Germany
> Phone: +49-6221-533266
> Fax: +49-6221-533298
> e-mail: Vlad.Cojocaru.eml-r.villa-bosch.de
> http://projects.villa-bosch.de/mcm/people/cojocaru/
>
>
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Received on Wed Jun 07 2006 - 06:07:12 PDT
