AMBER Archive (2004)

Subject: Re: AMBER: Amber7: pdb format file

From: Peter Gannett (pgannett_at_hsc.wvu.edu)
Date: Tue Jun 01 2004 - 13:22:32 CDT

Vidit:

Well, to begin with, you need to create a topology and coordinate file
via xleap. Perhaps I'm missing something, but I would have thought
sander would have complained about this.

Pete Gannett

>>> vidit.kumar_at_wmich.edu 6/1/2004 2:13:03 PM >>>
Dear all

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?

-vidit kumar
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