Thanks a lot. I put the title line acturally, but I forgtot to copy it in the email.
"David A. Case" <case.scripps.edu> wrote: On Thu, Mar 01, 2007, Esther Brugger wrote:
> Thanks for your reply. Here is the command and input file that I used.
> $AMBERHOME/exe/sander -O -i SASA.in -p prmtop -c mdcrd -o SASA.out
> &cntrl
> imin = 5,
> gbsa=2,
> surften=1
> /
Note that you need a title line (can be blank) *before* the &cntrl line. That
is probably the origin of this error:
> forrtl: severe (64): input conversion error, unit -5, file Internal Formatted Read
> Image PC Routine Line Source
> sander 081A86F6 Unknown Unknown Unknown
...dac
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Esther B.
---------------------------------
Don't pick lemons.
See all the new 2007 cars at Yahoo! Autos.
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Received on Sun Mar 04 2007 - 06:07:41 PST
