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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Received on Tue Jun 01 2004 - 20:53:00 PDT
