On Mon, Jan 22, 2007, Ed Pate wrote:
>
> I am attempting to run a GB simulation with NMR distance restraints
>
> The job now terminates with the following error message:
> Warning: Error opening "Old" file from subroutine OPNMRG
> File = DIST
>
> DISANG=DIST
>
> My DISANG file follows:
>
> &rst
> ixpk=0, nxpk =0, iat=11899, 1825, r1= 6.6,r2=7.6,r3=8.3,r4=8.8,
> rk2=0. rk3=32.,irg6=1, ialtd=0,
> &end
> &rst
> ixpk=0, nxpk=0, iat=11926, 2911, r1=3.76 , r2=4.76, r3=5.46, r4=5.96,
> rk2=0., rk3=32., irg6=1, ialtd=0,
> &end
The file has to be named "DIST" not "DISANG"; that is, the file name is on
the right hand side of the equal sign; "DISANG" is the type of file, not the
file name.
...hope this helps...dac
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Received on Wed Jan 24 2007 - 06:07:26 PST
