AMBER Archive (2006)

Subject: Re: AMBER: requirement of delphi for mm_pbsa

From: David A. Case (case_at_scripps.edu)
Date: Wed Jan 04 2006 - 10:22:53 CST

On Wed, Jan 04, 2006, Manish Datt wrote:
>
> i`m trying to do binding energy calculations using mm_pbsa in amber8 on
> red hat 9. the program seems to run correctly but the strange part is that
> i don`t have delphi installed on my system. in the in put file the path
> for delphi executable is same as given in example input file.
>
> is it necessary to have delphi to run mm_pbsa? if yes then why am i not
> encountering any error if no then what is the significance of giving path
> for delphi in the input file.

I think the default for Amber 8 is to use "pbsa", Amber's Poisson-Boltzmann
solver. So you should not need delphi. But it should probably not print
out the directory if it is not being used....maybe someone will look into
fixing that (hint, hint).

...dac

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