AMBER Archive (2009)

Subject: [AMBER] How to delete the frames at specific intervals

From: Mannan (malie_03_at_yahoo.co.in)
Date: Thu Apr 02 2009 - 20:16:49 CDT


I have a trajectory of 5ns with frames from each pico seconds and water molecues around the protein  8A. When I load in VMD my system could not handel its memory.
I would like to delete the frmes with 5ps interval using ptraj.
 
I could not do that. Please help me out.
Thanks in advance
Thomas

--- On Thu, 2/4/09, David A. Case <case_at_biomaps.rutgers.edu> wrote:

From: David A. Case <case_at_biomaps.rutgers.edu>
Subject: Re: [AMBER] please help me out
To: "AMBER Mailing List" <amber_at_ambermd.org>
Date: Thursday, 2 April, 2009, 11:18 PM

On Thu, Apr 02, 2009, bharat lakhani wrote:

> here i am sending my drug file.i want to do minimization.Could anyone please
> let me know.what would be the *minvac.in file for this antibiotic.*

Sounds like you should follow Tutorial B4, at
http://ambermd.org/tutorials.

...dac

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