AMBER Archive (2009)

Subject: Re: [AMBER] 60 giga output file .mdcrd file

From: case (case_at_biomaps.rutgers.edu)
Date: Wed Nov 04 2009 - 06:17:47 CST

On Tue, Nov 03, 2009, Jason Swails wrote:
>
> trajin YOURMDCRD 1 10000 1
> trajout chunk1
>
> trajin YOURMDCRD 10000 20000 1
                   ^^^^^^ should be 10001
> trajout chunk2
>
> trajin YOURMDCRD 20000 30000 1
                  ^^^^^^ should be 20001
> trajout chunk3

>
> trajin YOURMDCRD 1 9999999999 10
                  ^^^ probably should be 10
> trajout SHORTENEDMDCRD
>
> (This would actually pull frames 1, 11, 21, 31, 41, ... up to your total
                                  ^^^^^^^^^^^^^^^^^^^ 10,20,30,40....
   with the change suggested above.

...dac

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