AMBER Archive (2002)

Subject: Re: antechamber's prepc option

From: David A. Case (case_at_scripps.edu)
Date: Fri Aug 16 2002 - 15:10:55 CDT

On Fri, Aug 16, 2002, Matthew Lee wrote:
>
> Has anyone experienced any problems with antechamber's
> generation of prepc files (Cartesian prep input files)?

Yes, prepc generation is broken; you must use prepi (or mol2 can be
an attractive option as well, followed by "mol2_to_off").

In principle, this should not be that hard to fix, but we are moving
to abandoning prepc (or prepi) in favor of mol2, so it may never happen.

...dac 

-- 

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David A. Case                     |  e-mail:      case_at_scripps.edu
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