Thank you so much Dan.
> Hi,
>
> On Sat, Feb 8, 2014 at 4:39 AM, <sunita.tifrh.res.in> wrote:
>
>> PTRAJ: trajin remd_0.4ns.mdcrd.001 remdtraj remdtrajtemp 281.85
>> Checking coordinates: remd_0.4ns.mdcrd.001
>> REMDTRAJ: Using specified file as lowest replica: remd_0.4ns.mdcrd.001
>> REMDTRAJ: Frames at 281.850000 K will be processed.
>> REMDTRAJ: Scanning for other REMD files.
>> REMDTRAJ: Found 1 replica traj files.
>>
>
> I think this is your problem. If you want to extract a specific
> temperature
> from a replica ensemble you need to have all replica trajectories present
> so that all temperatures are present. Presumably there are other replica
> trajectories somewhere named remd_0.4ns.mdcrd.002, remd_0.4ns.mdcrd.003,
> etc (one for each replica). They should be in the same location as
> remd_0.4ns.mdcrd.001. This needs to be done for each replica 'trajin'.
>
> Hope this helps,
>
> -Dan
>
>
> --
> -------------------------
> Daniel R. Roe, PhD
> Department of Medicinal Chemistry
> University of Utah
> 30 South 2000 East, Room 201
> 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 Mon Feb 10 2014 - 04:30:02 PST
