Re: Re[2]: AMBER: antechamber problem

From: David A. Case <case.scripps.edu>
Date: Thu, 21 Aug 2003 16:34:17 -0700

On Thu, Aug 21, 2003, Junmei Wang wrote:
>
> This molecule has a Zinc atom and amber7 cannot handle it properly. Please
> try the latest version of antechamber in amber8, it should works given the
> atom connectivity is good (one can always revise it from an ac or mol2
> file). Pay attention to atom names since the new version of antechamber
> automatically rename duplicated atom names. The following is the prepin
> file I generated:
>

Just a note: Junmei's prepin file (not shown here) still has duplicate
atom names in the same residue, and so will not work in LEaP. The only
solution I know of right now is to make the atom names unique by hand.

...dac 

-- 
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David A. Case                     |  e-mail:      case.scripps.edu
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
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10550 N. Torrey Pines Rd.         |  home page:                   
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Received on Fri Aug 22 2003 - 00:53:00 PDT
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