Re: [AMBER] large .mdcrd splitting

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Thu, 6 Aug 2015 05:39:35 -0600

Hi,

You can accomplish this with cpptraj. Either do several rounds of trajin
with start and stop arguments and trajout, e.g.

trajin mytraj.nc 1 100
trajout part1.nc
run
clear trajin
trajin mytraj.nc 101 200
trajout part2.nc
...

Or you can use trajout with the onlyframes keyword (which is a better
option in my opinion):

trajin mytraj.nc
trajout part1.nc onlyframes 1-100
trajout part2.nc onlyframes 101-200
...

See the manual for full details on the commands and keywords. Good luck,

-Dan

On Thursday, August 6, 2015, Vishal Nemaysh <vishal.bioinfotech.gmail.com>
wrote:

> Respected Sir/Madam
>
> how can i split the large *.mdcrd *file into small-small parts please let
> me know ...how can i do this
>
> thanking you,
>
> --
> Vishal
> Research Scholar,
> Neuropharmaceutical Chemistry lab.,
> Dr. B. R. Ambedkar Center for Biomedical Research,
> University of Delhi, Delhi-110007
> Email: *vishal.bioinfotech.gmail.com <javascript:;> <
> vishal.bioinfotech.gmail.com <javascript:;>>*
> Phone: 91-11-27662778 Mobile: 91+9650736653
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org <javascript:;>
> http://lists.ambermd.org/mailman/listinfo/amber
>


-- 
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Thu Aug 06 2015 - 05:00:04 PDT
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