AMBER Archive (2000)

Subject: Re: problem with Interface script

From: David Pearlman (David_Pearlman_at_vpharm.com)
Date: Fri Sep 29 2000 - 12:07:44 CDT

It appears that when you installed the Interface programs
(using the scripts provided), you didn't specify the
proper default locations for the Amber executables.

Either that, or the locations of these executables changed
after you installed Interface. You may need to reinstall
the amber Interface (execute install_ambint in the
interface directory; be sure you execute this script from
the actual interface directory [i.e. archivputd is in the
exe subdirectory of the directory in which you execute
the script].

If, e.g. /usr3/people/builder/AMBER501/AMBER/interface/exe/archivputd
actually exists (do an ls on the above string to see), then
you may have a problem with a symbolic hard drive link
not getting properly resolved or something like that.

dap

Yanni Wang wrote:
>
> Dear all,
>
> I try to use interface to run "torsion driving" (to generate an energy versus
> torsion profile). I called interface in the following way,
>
> /kvant/wangyn/amber/AMBER/exe> interface -i torsion_drive -t amber.dat
> where torsion_drive is a test command file copied from the manual.
>
> However, I got ERRORS like
>
> sh: /usr3/people/builder/AMBER501/AMBER/exe/sander: not found
> /usr3/people/builder/AMBER501/AMBER/interface/exe/direct: Command not found.
> Starting set # 1
> /usr3/people/builder/AMBER501/AMBER/interface/exe/archivgetd: Command not found.
> sh: /usr3/people/builder/AMBER501/AMBER/exe/sander: not found
> /usr3/people/builder/AMBER501/AMBER/interface/exe/archivputd: Command not found.
> minxx_vac.out: No such file or directory
> minxx_vac.out: No such file or directory
> rm: minxx_vac.out: No such file or directory
> rm: minxx_vac.rst: No such file or directory
> rm: md1.xyz: No such file or directory
>
> It is obvious that the directory (or architecture) is wrong, since all the
> above executable programs are stored under
> /kvant/wangyn/amber/AMBER/exe/ directory.
>
> What should I do then? Many thanks for any suggestion.
>
> Yanni