Re: [AMBER] query about .mdcrd file

From: Dr. M. Shahid <mohammad.shahid.gmail.com>
Date: Tue, 19 Apr 2016 14:48:20 +0200

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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Received on Tue Apr 19 2016 - 06:00:05 PDT
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