Re: [AMBER] Fwd: Incorrect handling of phenylalanine amide by antechamber

From: case <case.biomaps.rutgers.edu>
Date: Fri, 1 Oct 2010 07:35:28 -0400

On Fri, Oct 01, 2010, Francesco Pietra wrote:

> At a fresh check this morning, the residue number 4 in the for-last
> column of the mol2 file was the problem. Replacing 4 with 1, the mol2
> file was loaded by xleap. Now I'll see if I can build prmtop/inpcrd
> for the peptide.

This sounds like bugfix 10 to version 1.2 has not been applied. If that is
the case, it's probably worth upgrading to the latest version.

....dac


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Received on Fri Oct 01 2010 - 05:00:03 PDT
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