Re: [AMBER] adding NME and ACE terminals

From: David A Case <>
Date: Wed, 9 May 2018 10:23:48 -0400

On Wed, May 09, 2018, roja rahmani wrote:
> As i couldn't understand how build helical structure by impose command in
> AMBER, i tried to build this structure by Peptide builder software and make
> it capped in AMBER. So i want to load the .pdb file in AMBER and then add
> NME and ACE to it.

Use Peptide builder to make the capped peptide, then load that pdb file
into Amber. LEaP can recognize and deal with capped ends in input pdb
files; it is not really designed to be adding new caps to an existing,
un-capped structure.


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Received on Wed May 09 2018 - 07:30:04 PDT
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