[AMBER] DU issue with Antechamber

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From: Abhilash J <md.scfbio.gmail.com>
Date: Thu, 23 Mar 2017 09:51:37 +0530

Hi everyone,

     I have a facing a small issue with antechamber. It is giving DU
atomtype to an atom while generating its parameters.
    The ligand is https://www3.rcsb.org/ligand/L3L

   6 HN1A DU S 4 3 2 1.000 110.360 -45.950 0.234000

   I have used bcc charge derivation. I think this error might have
occurred earlier too so I tried finding a post which might have dealt with
it but could not find it. I am attaching the prepin file for consideration.
I am using AMBER 14.

Regards

Abhilash

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application/octet-stream attachment: L3L.prepin

Received on Wed Mar 22 2017 - 21:30:02 PDT