AMBER Archive (2008)

Subject: Re: AMBER: autodock pdb to obtain parm with tleap

From: David A. Case (case_at_scripps.edu)
Date: Tue Feb 26 2008 - 15:34:07 CST

On Tue, Feb 26, 2008, Henar Martínez wrote:

> Anybody know how to transform an autodock pdb file in a pdb one that
> tleap can use to generate the parm file.
> The problem is: tleap does not recognize the atom types of the autodock
> pdb file.

We would need to see at least a little bit of the file to know what you are
talking about. PDB files do not store atom type information, so it's hard
to know what the real problem is.

...dac

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