On Fri, Mar 30, 2007, A Box wrote:
> When I did the run in Amber8, Sander printed out an error for the
> restraint file I had read in and I was then able to fix the file and get it
> to run with Sander in Amber9. ut if I did not have Amber8, I would not have
> been able to sort out the probelm with the run
This sounds like you may have used a different compiler to compile amber8 than
for amber9. Reporting of namelist errors is very compiler-dependent. In
principle, we could write our own namelist parser, but that is not likely to
happen any time soon.
...dac
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Received on Sun Apr 01 2007 - 06:07:41 PDT
