AMBER Archive (2002)

Subject: Re: Biphasic box

From: David A. Case (case_at_scripps.edu)
Date: Tue Dec 03 2002 - 17:09:50 CST


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 ==================================================================