Hi,
I find it helps to clean out some of the variables in your
input file that are not changed from the defaults. Find the
minimum set that will run. Also, you have not set nmropt
which means that it defaults to 0, which means that it won't
use the &wt sections at the end. I don't know if this could
be your problem or if the %wt sections just get ignored...
- John
On Wed, 12 Feb 2003, N. Jiten Singh wrote:
> Hello,
>
> I have deleted the the variables and check the remaining. I found the following variables in the manual but still giving the same errors.
>
> The new input file is
>
> &cntrl
> imin = 0,
> ntx = 1, irest = 0,JavaScript: mailSend()
> http://wmail.postech.ac.kr/template/kor2/images/ic_send.gif
> ntxo = 1, ntpr = 50, ntwr = 50, ntwx = 50, ntwe = 50, ntwv = 0,
> ioutfm = 0, ntwprt = 0,
> ntf = 1, ntb = 2, idiel = 1, dielc = 1.0, cut = 14.0, nsnb = 10,
> scnb = 2.0, scee = 1.2,
> ipol = 1, ibelly = 0,
> nstlim = 40000, t = 0.0, dt = 0.002, dtemp = 30
> ntt = 1,
> ntp = 1, pres0 = 1.0, taup = 0.2,
> ntc = 1, tol= 0.00005
> &end
> &wt type = 'TEMP0', istep1=0, istep2=5000, value1=0., value2=50. &end
> &wt type = 'TEMP0', istep1=5001, istep2=10000, value1=50., value2=100. &end
> &wt type = 'TEMP0', istep1=10001, istep2=15000, value1=100., value2=150. &end
> &wt type = 'TEMP0', istep1=15001, istep2=20000, value1=150., value2=200. &end
> &wt type = 'TEMP0', istep1=20001, istep2=25000, value1=200., value2=250. &end
> &wt type = 'TEMP0', istep1=25001, istep2=30000, value1=250., value2=300. &end
> &wt type = 'TEMP0', istep1=30001, istep2=40000, value1=300., value2=300. &end
> &wt type = 'END' &end
>
> --
> Thanking for your further suggestions,
>
> Best wishes,
>
> Jiten
>
> >
> >
> > -----Original message-----
> > From: "David A. Case"
> > To: "N. Jiten Singh"
> > Cc: amber_at_heimdal.compchem.ucsf.edu
> > Date: 02/12/2003(Wed)22:22
> > Subject: Re: Error Massage in Sander amber7 in Linux
> >
> > On Wed, Feb 12, 2003, N. Jiten Singh wrote:
> > >
> > > namelist read: variable not in namelist
> >
> > This means what it says: one of the variables you have in the namelist
> > statement in your input is not recognized.
> >
> > Unfortunately, many compilers won't tell you which variable(s) they don't
> > like, so you just have to compare your input by hand to the list of
> > variables in the Users' Manual, or in the code, in mdread.f.
> >
> > > ntwxm = 0, ntwvm = 0,
> >
> > Above are not legal variables.
> >
> > ..good luck...dac
> >
> > --
> >
> > ==================================================================
> > David A. Case | e-mail: case_at_scripps.edu
> > Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
> > The Scripps Research Institute | phone: +1-858-784-9768
> > 10550 N. Torrey Pines Rd. | home page:
> > La Jolla CA 92037 USA | http://www.scripps.edu/case
> > ==================================================================
> >
>
>
Received on Wed Feb 12 2003 - 13:49:56 PST
