Re: antechamber's prepc option

From: David A. Case <>
Date: Fri 16 Aug 2002 13:10:55 -0700

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.


David A. Case                     |  e-mail:
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
The Scripps Research Institute    |  phone:        +1-858-784-9768
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La Jolla CA 92037  USA            |
Received on Fri Aug 16 2002 - 13:10:55 PDT
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