Hi,
clambda=0,0 should be clambda=0.0 (with a dot, not comma). I guess this
should fix the problem.
best,
batuhan
On 01/24/18 17:26, Núbia Prates wrote:
> Hello everyone,
>
> I am getting error when trying to run a minimisation, part of the side-chain tutorial for TI (http://ambermd.org/tutorials/advanced/tutorial9/index.html#sidechain_mini).
>
>
> The following error message:
>
> At line 637 of file mdin_ctrl_dat.F90 (unit = 5, file = 'min.in')
>
> Fortran runtime error: Cannot match namelist object name 0.
>
>
> The code in the mdin file that I am using is:
>
> minimisation
> &cntrl
> imin = 1, ntmin = 2, maxcyc = 200,
> ntpr = 20, ntwe = 20,
> dx0 = 1.0D-7,
> ntb = 1,
> icfe = 1, ifsc = 1, clambda = 0,0, scalpha = 0.5, scbeta = 12.0,
> logdvdl = 0,
> timask1 = ':92', timask2 = ':422',
> scmask1 = ':92', scmask2 = ':422',
> !method 2:
> !scmask1 = '', scmask2 = ':422.HG=',
> /
> &ewald
> /
> Regards
> Nubia
>
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Received on Wed Jan 24 2018 - 10:00:02 PST
