Try getting rid of the # Title in your test.disang file.
Good luck,
Jason
On Wed, Mar 2, 2011 at 6:59 PM, Wong, Sergio E. <wong105.llnl.gov> wrote:
> Dear Amber Users;
>
> As a test case in using NMR restraints I tried to apply an dihedral
> restraint on a small molecule. Unfortunately I get the following error:
>
> At line 943 of file _nmrcal.f
> Fortran runtime error: Cannot match namelist object name #
>
> Has anyone seen this before? If so, how did you work around it?
> My input files are below;
>
> Thanks;
>
> -Sergio
>
>
> MD heating from 0 to 300K with restraints on the solute
> &cntrl
> irest=1,
> ntx=5,
> imin = 0,
> ntpr = 1000,
> ntwx = 1000,
> ntwe = 1000,
> ntwr = 1000,
> nstlim =1000000,
> dt = 0.001,
> ntb = 0,
> cut = 15,
> ntc = 2,
> igb=5,
> ntf = 2,
> ntt = 3,
> gamma_ln=50,
> ig=23847,
> temp0 = 300.0,
> nmropt=1,
> /
> &wt
> type='END',
> /
> DISANG=test.disang
>
> *************************************
> test.disang:
>
> # Title
> &rst
>
> iat= 10, 12, 13, 14, r1=-30.0, r2=-10.0, r3=10.0, r4=30.0,
>
> /
>
>
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>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Wed Mar 02 2011 - 16:30:04 PST
