AMBER Archive (2004)

Subject: Re: AMBER: tleap input file error

From: David A. Case (case_at_scripps.edu)
Date: Thu Jul 01 2004 - 19:06:18 CDT

On Thu, Jul 01, 2004, fangyu liang wrote:
>
> I am running tleap. The input file generates some errors. The first one is
> addAtomTypes: Improper number of arguments!
>
> I could't find anything wrong with it. I attached the on-screen error
> message file and the log file(z104_lep). Please advise. Thank you very
> much!
>

What commands did you give to LEaP? Does it work for an "ordinary"
command, like "source leaprc.ff94"? Does LEaP pass the test suite?

I don't see anything obvious wrong, but it is hard to tell when the files
are sent as Microsoft Word documents -- there could be problems with
line endings or something else.

Basically, we need more information about exactly what you did, and what
environment you are working in. You probably should also indicate what
operating system you are using.

...dac

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