Re: Biphasic box

From: David A. Case <case_at_scripps.edu>
Date: Tue 3 Dec 2002 15:09:50 -0800

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


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David A. Case                     |  e-mail:      case_at_scripps.edu
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Received on Tue Dec 03 2002 - 15:09:50 PST
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