AMBER Archive (2002)

Subject: Re: ambpdb problem (fwd)

From: David A. Case (case_at_scripps.edu)
Date: Mon Aug 26 2002 - 20:27:08 CDT

On Mon, Aug 26, 2002, amber_at_heimdal.compchem.ucsf.edu wrote:
>
> I am trying to convert a .rst from an MD run to a pdb file using the ambpdb
> command, but the following error message comes up:
>
> ambpdb -p tripodal.top
> | New format PARM file being parsed.
> | Version = 1.000 Date = 07/24/02 Time = 11:58:11
>
>
>
> ATOMS DO NOT MATCH BETWEEN PARM AND MIN FILES 5987 0
>
> even though in both .top file .rst file, there are the same number of atoms.

What do the first few lines of your coordinate file look like? The program
clearly thinks it has read 0 atoms in there. You can see what it going on
by looking at the "getcor" routine in ambpdb.f.

..good luck...dac 

-- 

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David A. Case                     |  e-mail:      case_at_scripps.edu
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