AMBER Archive (2004)

Subject: Re: AMBER: Amber7: pdb format file

From: David A. Case (case_at_scripps.edu)
Date: Tue Jun 01 2004 - 14:23:47 CDT

On Tue, Jun 01, 2004, vidit kumar wrote:
>
> I am new to Amber. I want to use Amber force field method to minimize the
> energy. I have created a msi format file using Cerius2 and then saved the
> file also in pdb format. when I tried to use the sander it gave me the error
> message, like atom type not found. Please suggest how should I proceed?

You should give more details of what you mean by the statment "I tried to use
sander". What was you input file, and what command-line flags did you use?
Try to make your inputs look as close as possible to those in the test cases,
or in the tutorials.

...good luck...dac

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