You are not providing an error message so it is hard to say what is going on. If you have no further output then there is a problem reading your restart file. This is not a QM/MM error. Please try to first run MM MD and see whether this works.
All the best,
Andy
—
Dr. Andreas W. Goetz
Assistant Research Scientist
San Diego Supercomputer Center
Tel: +1-858-822-4771
Email: agoetz.sdsc.edu
Web: www.awgoetz.de
> On Aug 10, 2017, at 9:20 AM, Charles Mariasoosai <charlesmariasoosai51.gmail.com> wrote:
>
> Dear amber users, am trying to equilibriate a QMMM setup in amber16 coupled
> with Gaussian09. my input parameter file looks as follows
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> *QMMM equlibriation &cntrl imin=0,irest=1,ntx=5, nstlim=150,dt=0.002,
> ntc=2,ntf=2, cut=20.0, ntp=1, taup=2.0, ntpr=10, ntwx=10, ntt=3,
> gamma_ln=2.0, temp0=300.0, ig=-1, ifqnt=1 &end &qmmm qmmask='.29-40'
> qmcharge=0, qm_theory='EXTERN', qmcut=20.0 &end &gau method ='BLYP',
> basis = '6-31G**', &end *
>
>
> and am getting error like
>
>
> *|
> Flags:
> getting box info from netcdf restart file*
>
> How could i can solve this error
> --
>
> *-Regards-*
>
> *ம. ரம்ய சந்தர் சார்லஸ்(M.Ramya Chandar Charles*)
> Research Scholar
> c/o Dr. S. Mohane Coumar
> Centre for Bioinformatics
> Pondicherry university
> Mob: +91-9283684619
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Received on Thu Aug 10 2017 - 10:00:02 PDT
