Re: [AMBER] error in running antechamber

From: David A Case <case.biomaps.rutgers.edu>
Date: Sat, 1 Mar 2014 09:46:35 -0500

On Sat, Mar 01, 2014, Arunima Shilpi wrote:
>
> Thank you for your reply. I am runnind antechamber for new ligand ZINC3781
> having the following co-ordinates.

There are no hydrogen atoms in your input file. Antechamber needs these.

[Developers: could we special-case trapping this sort of error and giving
a good error message?]

...dac


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Received on Sat Mar 01 2014 - 07:00:02 PST
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