On Tue, Dec 03, 2002, amber_at_heimdal.compchem.ucsf.edu wrote:
>
> From: Gemma Kinsella <maynooth_at_maths.tcd.ie>
>
> FATAL: Atom .R<CL3 355>.A<H1 1> does not have a type.
> FATAL: Atom .R<CL3 355>.A<C1 2> does not have a type.
> FATAL: Atom .R<CL3 355>.A<CL1 3> does not have a type.
> FATAL: Atom .R<CL3 355>.A<CL2 4> does not have a type.
> FATAL: Atom .R<CL3 355>.A<CL3 5> does not have a type.
Have you given the "loadAmberParams frcmod.chcl3" command to LEaP? This
is needed to have LEaP know about chloroform parameters.
..hope this helps...dac
--
==================================================================
David A. Case | e-mail: case_at_scripps.edu
Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
The Scripps Research Institute | phone: +1-858-784-9768
10550 N. Torrey Pines Rd. | home page:
La Jolla CA 92037 USA | http://www.scripps.edu/case
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Received on Tue Dec 03 2002 - 15:09:50 PST
