Re: [AMBER] Regarding output file processing of temperature replica exchange

From: Rajarshi Roy <phd1701171011.iiti.ac.in>
Date: Mon, 26 Nov 2018 22:07:42 +0530

Yes, But I extracted some frame from this mdcrd file and the output mdcrd
file. Both of them are showing the same pdb structures. I think there
something is wrong, Is there any other way to check that my simulation is
doing well?

On Sun, Nov 25, 2018 at 8:27 AM Thomas Cheatham <tec3.utah.edu> wrote:

>
> > Yes. I understand this. But my question is, if it is taking all the
> mdcrd
> > files, it should shows in the terminal that it is reading all of them.
> Here
> > is the output of my terminal,
>
> > INPUT TRAJECTORIES (1 total):
> > 0: REMD trajectories (72 total), lowest replica 'remd_glycanC.mdcrd.001'
> > (reading 4400 of 4400)
>
> It could be more verbose, but it does say above that it loaded 72 REMD
> trajectories...
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>


-- 
*with regards*
*Rajarshi Roy*
*PhD Research Scholar*
*Biosciences and Biomedical Engineering*
*Indian Institute of Technology, Indore*
*India*
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Nov 26 2018 - 09:00:03 PST
Custom Search