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

[Gerrit Groenhof]

  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
>
>