Re: [AMBER] hiiiii

From: David Case <>
Date: Sun, 5 Jan 2020 13:47:26 +0000

On Sun, Jan 05, 2020, ankita mehta wrote:

>Why tleap is considering all ALANINE to be NALA?

We have so little information about what you did, and what pdb file you
loaded, to offer any useful information. You apparently used a sequence
command, but we don't have any information about what step that was, or
what was in it.

Generally, the default in tleap is to make change an N-terminal ALA
residue to NALA. Note that NALA (and other N-terminal residues) does
not have an "H" atom in it. Do you have any unwanted TER cards in you
PDB file right before the ALA residues?


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Received on Sun Jan 05 2020 - 06:00:05 PST
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