Dear ilyas,
Thanks for the information. Do you know a method for creating the prmtop files for the crd snapshots (those that have mutated residues) produced by mm_pbsl with ALASCAN option?
Aytug
-----Original Message-----
From: Ilyas Yildirim <yildirim.pas.rochester.edu>
To: <amber.scripps.edu>
Date: Mon, 19 Feb 2007 08:35:16 -0500 (EST)
Subject: Re: AMBER: crd to pdb conversion
Dear Aytug,
.crd files store only the coordinate information. Without knowing what the
atoms are (which are stored in .prmtop file), there is not way you can
create a .pdb file.
On Mon, 19 Feb 2007, AYTUG TUNCEL wrote:
> Dear all,
>
> Is there anyway converting the crd file to pdb format directly without the prmtop file. Because I used the ALASCAN in mm_pbsa module in order to create mutated residues but it requires new prmtop files for binding energy calculation. How can I create the new prmtop files for the corresponding structures that bear the mutated residues?Thanks in advance.
>
> Aytug
>
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--
Ilyas Yildirim
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Received on Wed Feb 21 2007 - 06:07:28 PST
