AMBER Archive (2004)

Subject: AMBER: Antechamber compilation error

From: Arvind (arvind_at_mbu.iisc.ernet.in)
Date: Mon Apr 05 2004 - 11:22:21 CDT

Hi all,
when i try to compile antechamber, i get the following error message:

make test.antechamber
cd antechamber/tp; ./Run.tp

Running: /usr/local/amber7/exe/mopac.sh ANTECHAMBER_MUL.MOP
ANTECHAMBER_MUL.OUT
Unable to find mopac charges in ANTECHAMBER_MUL.OUT
  Program error
make: *** [test.antechamber] Error 1

The 'ANTECHAMBER_MUL.OUT' file has just one line:

 INPUT FILE MISSING OR EMPTY

This is the 'ANTECHAMBER_MUL.MOP' file:

AM1 MMOK GEO-OK CHARGE=0
remark line goes here

    C -1.9590 1 0.1020 1 0.7950 1
    C -1.2490 1 0.6020 1 -0.3030 1
    C -2.0710 1 0.8650 1 1.9630 1
    C -0.6460 1 1.8630 1 -0.2340 1
    C -1.4720 1 2.1290 1 2.0310 1
    C -0.7590 1 2.6270 1 0.9340 1
    H -1.5580 1 2.7190 1 2.9310 1
    S -2.7820 1 0.3650 1 3.0600 1
    H -3.5410 1 0.9790 1 3.2740 1
    H -0.7870 1 -0.0430 1 -0.9380 1
    H 0.3730 1 2.0450 1 -0.7840 1
    H -0.0920 1 3.5780 1 0.7810 1
    H -2.3790 1 -0.9160 1 0.9010 1

This seems to be the same error as reported by Carsten Detering on Feb. 06
(antechamber+mopac+scf failed). However i'm using mopac7, redhat9 and
amber7. I did'nt find any responses to Carsten's mail. Can somebody give
me an idea abt. this problem? Thanx in advance.

Regards,
Arvind.

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