One item to consider when setting up ambertools (amber11) with amber10
as separate directories. When you use mm_pbsa, you will need to create
a symbolic link in the amber11/src directory back to the mm_pbsa
directory in the amber10/src directory. You will also need to create
symbolic links to make_crd_hg between amber10/bin and amber11/bin as
well as sander too.
John
case wrote:
> On Tue, Jan 12, 2010, Stefan weber wrote:
>
>> will try so, but where should $AMBERHOME point to? Amber10 or like
>> ambertools amber11?
>>
>
> The tools in Amber (as opposed to AmberTools) don't use the $AMBERHOME
> environemnt variable. The idea is that you will set $AMBERHOME
> to /path/to/amber11, and would put both /path/to/amber10/bin and
> /path/to/amber11/bin in your PATH environment variable.
>
> ...dac
>
>
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>
>
>
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Received on Thu Jan 14 2010 - 11:30:02 PST
