you have cntr1(one), not cntrl. some other font might help
bybaker.itsa.ucsf.edu wrote:
> Hello, Amber:
>
> I check the output file again, it does show the massage 'Could not find
> cntrl namelist' and the input file. Sorry for the mess.
>
> I don't know why sander could not find cntr1 namelist. Please help.
>
> Bset regards
>
> Bo Yang
>
>
>
> The follows are the result from sander run:
>
> ------ start ----
>
> guanine.20% sander -O -i test1amin.in -o test1amin.out -c
> /home/spin/bybaker/model1-1.crd -p /home/spin/bybaker/model1-1.top -r
> test1amin.rst
> guanine.21% ls
> Run1min.out model0.pdb run1min.in
> built.lib model1-1.inpcrd test1amin.in
> help model1-1.prmtop test1amin.out
> leap. nuc.out test1min.in
> leap.log out.min test1min.out
> mdout polyAT_vac_init_min.out
>
>
>
> guanine.23% ls
> Run1min.out model0.pdb run1min.in
> built.lib model1-1.inpcrd test1amin.in
> help model1-1.prmtop test1amin.out
> leap. nuc.out test1min.in
> leap.log out.min test1min.out
> mdout polyAT_vac_init_min.out
>
>
> guanine.24% more test1amin.out
>
> -------------------------------------------------------
> Amber 7 SANDER Scripps/UCSF 2002
> -------------------------------------------------------
>
> | Thu May 27 13:37:43 2004
>
> [-O]verwriting output
>
> File Assignments:
> | MDIN: test1amin.in
> | MDOUT: test1amin.out
> |INPCRD: /home/spin/bybaker/model1-1.crd
> | PARM: /home/spin/bybaker/model1-1.top
> |RESTRT: test1amin.rst
> | REFC: refc
> | MDVEL: mdvel
> | MDEN: mden
> | MDCRD: mdcrd
> |MDINFO: mdinfo
> |INPDIP: inpdip
> |RSTDIP: rstdip
>
>
> Here is the input file:
>
> initial minimization test1a
> &cntr1
> imin=1
> maxcyc=200
> ntpr=5
> /
>
> Could not find cntrl namelist
>
> ----end----
>
>
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Received on Thu May 27 2004 - 22:53:01 PDT
