Re: [AMBER] frcmod problem

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Tue, 12 Mar 2013 07:59:21 -0600

Hi,

The error messages are straightforward - you are missing the bond and angle
parameters indicated. If you are using GAFF via antechamber, did you also
try running parmchk?

-Dan

On Tuesday, March 12, 2013, tianchuan881 wrote:

> Dear amber,
> My frcmod file is problematic when I load it in tleap. The errors are as
> follows:
> Checking 'S'....
> Checking parameters for unit 'S'.
> Checking for bond parameters.
> Could not find bond parameter for: sx - cd
> Checking for angle parameters.
> Could not find angle parameter: sx - cd - na
> Could not find angle parameter: sx - cd - nc
> Could not find angle parameter: o - sx - cd
> Could not find angle parameter: c3 - sx - cd
> There are missing parameters.
> Unit is OK.
> I wonder why and could you give me some hints to modify the frcmod file?
>
> best regards,
> tianchuan
>
>
>
>
> tianchuan881
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> http://lists.ambermd.org/mailman/listinfo/amber
>


-- 
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-9119 (Fax)
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Received on Tue Mar 12 2013 - 07:30:03 PDT
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