[gmx-users] MOPAC gromacs mdreun error (vidhya sankar)

[vidhya sankar]

Dear Gerrit sir,
              Thank you for your atonce reply 
my mopac stand alone binary works well  i have tested using ./run_mopac7 tests/force
but mdrun is not properly linked aganist libmopac.a 
 i am using the following command to  configure 
./configure --disable-float --without-qmmm-mopac CPPFLAGS=-DUSE_MOPAC LIBS=-lmopac LDFLAGS=-L/usr/local/lib
if i use --with-qmmm-mopac i end in  make error (compilation  error) 
 also how to check how to check the link of mdrun aganist libmopac.a  is there is any command for this?
i am expecting your precious reply thanks in advance















--- On Mon, 6/12/10, Gerrit Groenhof <ggroenh at gwdg.de> wrote:

From: Gerrit Groenhof <ggroenh at gwdg.de>
Subject: Subject: [gmx-users] : MOPAC gromacs mdreun error (vidhya sankar)
To: gmx-users at gromacs.org
Date: Monday, 6 December, 2010, 12:57 PM

 Please check if your stand-alone mopac binary works properly. Also check if the mdrun binary is linked against the libmopac.a

Gerrit
> Message: 2
> Date: Mon, 6 Dec 2010 11:55:58 +0530 (IST)
> From: vidhya sankar<scvsankar_agr at yahoo.com>
> Subject: [gmx-users] : MOPAC gromacs mdreun error (vidhya sankar)
> To: gmx-users at gromacs.org
> Message-ID:<157886.66733.qm at web95506.mail.in.yahoo.com>
> Content-Type: text/plain; charset="iso-8859-1"
> 
> Dear Gerrit  sir,
>                 Thank you for your previous reply i tried as u said with  -nt 1 option in mdrun but still i have got hte following error when i run mdrun_d
> QM/MM calculation requested.
> there we go!
> Layer 0
> nr of QM atoms 2
> QMlevel: PM3/STO-3G
> Program mdrun_d, VERSION 4.5.3
> Source code file: qmmm.c, line: 697
> Fatal error:
> Semi-empirical QM only supported with Mopac.
>   but i configured gromacs properly with mopac. how to solve the problem
>   is ther is any link that i have not made available ? i am expecting your worthfull reply thanks isn advance
> 
> 

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