Am 2/13/2013 20:04, schrieb Daniel Roe:
> Hi,
>
> What version of AmberTools are you using, and have all bugfixes been
> applied? Do your AmberTools test cases pass?
>
> -Dan
>
Hi,
I'm using ambertools 12. I'll try to attach the logfiles - everthing
concerning antechamber seems to work fine according to the testrun.
I didn't want to let you read my cryptic name for that molecule and
edited it to xyz. To make sure I haven't misstyped anything I copy
pasted the filename including the extension from the file to the
commandline. Ambertools is up to date.
I put my pdb file in many folders, including the /bin but it won't work.
Can i modify the Run.sustiva script in the testfolder to get what i want?
Best regards and thanks for the quick responses
Matthias
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Received on Thu Feb 14 2013 - 02:00:02 PST
