Hi Charlie,
On 3/11/2011, at 10:24 a.m., Charles Johnson wrote:
> I am new to amber and running simulations. I received the following error:
>
> At line 976 of file _nmrcal.f
> Fortran runtime error: Invalid string input in item 0
>
> when I try and run a simulation using sander. Any help would be greatly appreciated.
This sounds like a problem in one of your input files, probably your mdin. Would you be so kind as to post the contents of your mdin to the list?
Cheers,
Ben
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Received on Thu Nov 03 2011 - 08:30:04 PDT
