Re: [AMBER] add new functions into Amber10

From: David A. Case <case.biomaps.rutgers.edu>
Date: Mon, 21 May 2012 21:29:14 -0400

On Mon, May 21, 2012, Xin Geng wrote:
>
> I want to add a new function into Amber10. I implement the new function
> shown as the attached file.

The attached file, ehpmf-1.f implements a module that I am guessing you
want to access. The error messages you cite have to do with egb.f, but I
don't think(?) you have told us how you modified egb.f.

The error messages from the compiler are very specific, and point you to the
exact line and column number where the problem is appearing. If you really
can't figure out what is going on by yourself, is there not someone in your
research group who could look at the code and try to help? As far as I can
tell, this error has nothing in particular to do with Amber: it looks like
a generic Fortran error, at least from the very limited amount of information
I have.

....dac


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Received on Mon May 21 2012 - 18:30:04 PDT
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