[AMBER] Error in Running tLEaP for Protein File

From: Amartya Pradhan <amartyap.bt16.nsit.net.in>
Date: Tue, 23 Oct 2018 00:00:00 +0530

Dear all,

While running tLEaP for the protein file, I m getting the following error:

>Created a new atom named: HD1 within residue: .R<HIE 24>
>Created a new atom named: HN1 within residue: .R<LIG 219>
>Created a new atom named: HN2 within residue: .R<LIG 219>
>Created a new atom named: HC23 within residue: .R<LIG 219>
>Created a new atom named: HC24 within residue: .R<LIG 219>

I was going through the AMBER email archives where one of the emails ask
users to remove all the hydrogens (for both ligand and protein) in the file
and let tLEaP add hydrogens. Please clarify how can we run
antechamber without hydrogen for the ligand file?

Please help me with these issues.

Thank you!

*Amartya Pradhan*
Batch of 2020, Bachelor of Engineering (B.E.)
Division of Biotechnology,
Netaji Subhas University of Technology (formerly Netaji Subhas Institute of
Sector 3, Dwarka, New Delhi-110078, India

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Received on Mon Oct 22 2018 - 12:00:02 PDT
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