HI,
> INPUT TRAJECTORIES (1 total):
> 0: REMD trajectories (72 total), lowest replica 'remd_glycanC.mdcrd.001'
> (reading 4400 of 4400)
> Looking for frames at 300.00 K
> Coordinate processing will occur on 4400 frames.
>From what you've posted it seems like all 72 replicas were
successfully processed, and frames at 300 K were selected and output
to your specified output trajectory.
In the output, it shows that only 4400 frames were processed. That's why I
am asking. My every mdcrd file contains 4400 frames. My question is that If
is it processing all the replica then why it reads only 4400 frames?
Maybe I am missing something; please help me out.
Thank you again for your concern.
On Fri, Nov 16, 2018 at 8:30 PM Daniel Roe <daniel.r.roe.gmail.com> wrote:
> Hi,
>
> On Fri, Nov 16, 2018 at 3:14 AM Rajarshi Roy <phd1701171011.iiti.ac.in>
> wrote:
> > Yes, I know that. But when I am only trajin the first replica it is not
> > taking the other replica. Here is my output,
>
> Why do you think it's not taking the other replicas?
>
> > [trajin remd_glycanC.mdcrd.001 remdtraj remdtrajtemp 300.00]
> > Found 72 replicas.
>
> This indicates it has found 72 total replicas. Is this the size of
> your ensemble? Is there anything else that indicates to you the other
> replicas are not being processed?
>
> > INPUT TRAJECTORIES (1 total):
> > 0: REMD trajectories (72 total), lowest replica 'remd_glycanC.mdcrd.001'
> > (reading 4400 of 4400)
> > Looking for frames at 300.00 K
> > Coordinate processing will occur on 4400 frames.
>
> >From what you've posted it seems like all 72 replicas were
> successfully processed, and frames at 300 K were selected and output
> to your specified output trajectory.
>
> -Dan
>
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>
--
*with regards*
*Rajarshi Roy*
*PhD Research Scholar*
*Biosciences and Biomedical Engineering*
*Indian Institute of Technology, Indore*
*India*
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Received on Fri Nov 16 2018 - 10:00:02 PST
