AMBER Archive (2006)

Subject: RE: AMBER: creating a RST file from specific set of binpos/crd file

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Fri Jan 06 2006 - 12:01:39 CST

Dear Jamie,
 
Ptraj should be able to do this for you:
 
trajin blah.binpos 5345 5345
trajout blah.rst restart
 
All the best
Ross
 

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From: owner-amber_at_scripps.edu [mailto:owner-amber_at_scripps.edu] On Behalf Of
Baird, Jamie (bairdje)
Sent: Friday, January 06, 2006 09:33
To: amber_at_scripps.edu
Subject: AMBER: creating a RST file from specific set of binpos/crd file

Hello,

I was wondering if there is a way to obtain a rst file from a specific set
of a long trajectory (ex. Obtain a rst file for set 5,345 of a 10,000 set
binpos or crd file. I have scanned the archives and manual unsuccessfully
for what should be a simple task. Sorry if the answer is already present
somewhere...

Jamie Baird-Titus
Post-Doctoral Fellow
Laboratory of Professor Mark Rance
Department of Molecular Genetics, Biochemistry, and Microbiology
University of Cincinnati College of Medicine
Rm. 3109 Medical Sciences Bldg., 231 Bethesda Ave. Cincinnati, OH 45267
phone:(513)558-2938
email:bairdje_at_ucmail.uc.edu

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