AMBER Archive (2005)

Subject: Re: AMBER: Can we load prmtop and inpcrd files into xleap?

From: Kara Di Giorgio (kdigiorgio_at_sbcglobal.net)
Date: Wed May 18 2005 - 21:45:43 CDT

I thought the main use for xLEaP was to CREATE prmtop and inpcrd files
for other parts of amber (ie sander). Maybe I'm mistaken, though.

Kara Di Giorgio

On May 18, 2005, at 7:16 PM, Ilyas Yildirim wrote:

> Hi all,
>
> If we have a .prmtop and .inpcrd file, we can create a .pdb file using
> ambpdb. And after getting the .pdb file, we can load it into xleap with
> 'loadpdb' command. I was wondering if we can load any .prmtop and
> .inpcrd
> files into xleap directly? The .prmtop file has all the atom
> type/charge/perturbation/etc... informations in it, and that will be
> pretty fast to load all these info into xleap. Thanks in advance.
>
> Best,
>
> --
> Ilyas Yildirim
> ---------------------------------------------------------------
> - Department of Chemisty - -
> - University of Rochester - -
> - Hutchison Hall, # B10 - -
> - Rochester, NY 14627-0216 - Ph.:(585) 275 67 66 (Office) -
> - http://www.pas.rochester.edu/~yildirim/ -
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>
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