AMBER Archive (2008)

Subject: RE: AMBER: AMBER10 AMBERTools antechamber

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Tue Dec 23 2008 - 11:09:54 CST

Hi Starr,

> I successfully compiled and tested AMBER10 and AmberTools 1.2 in directory
>
> /One/Two/COMPILE/amber10
>
> Then I moved the binaries to
>
> /Three/Four/amber10/bin
>
> So that other users and my compute nodes could see them. The new
> $AMBERHOME is defined as /Three/Four/amber10/

Indeed, you can't do this with AMBERtools and it annoys the hell out of me,
especially if you are trying to do development where you have a single cvs
tree for example and multiple links to different locations. For the time
being all you can do is keep it in the path you compiled it in.

For AMBER developers: I propose that we remove this restriction for the next
version of AMBER tools and have it use the AMBERHOME environment variable
like previous versions of AMBER always did.

Just my 3c....

All the best
Ross

/\
\/
|\oss Walker

| Assistant Research Professor |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- ross_at_rosswalker.co.uk |
| http://www.rosswalker.co.uk | PGP Key available on request |

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