AMBER Archive (2008)

Subject: AMBER: qmmm_DFTB problem

From: Dr. Xiaofeng (Frank) Duan (duanx.ctr_at_afrl.hpc.mil)
Date: Tue Jun 24 2008 - 08:58:46 CDT

Hi,

  I am not a Amber user but an application manager. I installed Amber10
  and tested it. I had following error while doing testing:

export
  TESTsander=/app2/amberapp/platforms/linux.altix/amber10/exe/sander.MPI;
  make test.sander.DFTB
  make[1]: Entering directory
  `/aloe/app/amberapp/platforms/linux.altix/amber10/test'
  cd qmmm_DFTB/crambin_DFTB && ./Run.crambin
  DFTB SLKO files not found - Skipping Test...

  cd qmmm_DFTB/crambin_DFTB && ./Run.crambin_md_hot_start
  DFTB SLKO files not found - Skipping Test...

  I know there are some files are missing.
  Please tell me which files are missing and where they can be downloaded.

Thanks!

Frank Duan 

-- 

Xiaofeng Frank Duan, Ph.D      | Phone: 937-904-8310
Sr. Scientific Systems Analyst | Fax:   937-656-9538
Lockheed Martin / AFRL MSRC    | Email: duanx_at_asc.hpc.mil
Wright-Patterson AFB           | URL:   www.afrl.hpc.mil
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