Quoting jitrayut jitonnom <jitrayut.018.gmail.com>:
> Therefore, my question is
> how to check this error or where is the file that I should be check at first
> ?
>
> This is the warning in LEaP :
> > check as
> Checking 'as'....
> Warning: Close contact of 1.792161 angstroms between .R<ALD 1>.A<C 10> and
> .R<ALA 2>.A<N 1>
Just a close contact warning. Do not worry for that.
> Checking parameters for unit 'as'.
> Checking for bond parameters.
> Could not find bond parameter for: O - N
> Checking for angle parameters.
> Could not find angle parameter: O - N - H
> Could not find angle parameter: O - N - CT
> Could not find angle parameter: C - O - N
> There are missing parameters.
You need to load a force field parameter file using such LEaP command
FRCMOD = loadamberparams YOUR-FILE
See the amberX/dat/leap/cmd/frcmod.xx files for examples
regards, F.
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Received on Wed Jun 14 2006 - 06:07:18 PDT
