Dear Jason,
Can I use following command to do my job for restart file and mdcrd file respectively by changing frame numbers in trajin
trajin 5md.mdcrd 20 20
trajout 5md_20.rst ncrestart
trajin 5md.mdcrd 20 20
trajout 5md_20.mdcrd netcdf
regards,
Nitin Sharma
-----Original Message-----
From: Jason Swails [mailto:jason.swails.gmail.com]
Sent: Tuesday, May 13, 2014 9:01 PM
To: amber.ambermd.org
Subject: Re: [AMBER] exctracting indivdual frames into seperate files
On Tue, 2014-05-13 at 20:54 +0800, Nitin Sharma wrote:
> Dear amber users,
>
> I know that for trajout if one mention keyword multi with pdb or mol
> format it produces each frame in a different file. Is there a similar
> keyword for .rst
Restart files _always_ print to a separate file for each frame. The format does not allow trajectories (unlike PDB files with the MODEL records).
> and .mdcrd files too?
No.
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Tue May 13 2014 - 07:00:02 PDT
