Hi Ben,
I am not sure what the mdin file is.
Thanks,
Charlie
On Nov 3, 2011, at 10:24 AM, Ben Roberts wrote:
> 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 - 10:30:03 PDT
