Hi,
i know prmtop files are topology files and mdcrd files are trajectory files. But may be i am not successful to ask the actual thing which i want to know :( .
i have confusion in that thing how many trajectory files would it cover ?
is this command need all the trajectory files of all these four topolgy files or something else. hope so you can understand my confusion.
> From: mohammad.shahid.gmail.com
> Date: Tue, 19 Apr 2016 14:48:20 +0200
> To: amber.ambermd.org
> Subject: Re: [AMBER] query about .mdcrd file
>
> Hi,
>
> I think you were confusing the prmtop and mdcrd files. The solvated files
> for complex, receptor and ligand are the topology files, while the *.mdcrd
> are the trajectory files.
> The same topology files can be used for all of the trajectory files.
> Hope it clears the confusion now?
>
> Best regards,
>
> --
> Shahid.
>
>
> On Tue, Apr 19, 2016 at 1:23 PM, Ayesha Kanwal <ayesha_comsian.hotmail.com>
> wrote:
>
> > Hi all ,
> > i wan to know in amber advanced tutorial for the calculation of
> > MMPBSA/GBSA.
> > we take (-y *.mdcrd) it means we take that files that starts with .mdcrd
> > extension
> > it means it take all 4 mdcrd files of solvated complex,complex, receptor
> > and ligand.
> > then how system can detect which mdcrd file is for solvated complex and
> > semoltaneously.
> > can any one clear my concept.
> >
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> >
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Received on Tue Apr 19 2016 - 10:30:03 PDT
