[gmx-users] Acetylation of lysine

[Justin Lemkul]

On 1/23/18 11:51 AM, Shraddha Parate wrote:

These lines right here point the the exact problem:
> Warning: Residue KAC31 in chain has different type (Other) from starting
> residue GLY1 (Protein).
> Warning: Residue KAC32 in chain has different type (Other) from starting
> residue GLY1 (Protein).
> Warning: Residue KAC33 in chain has different type (Other) from starting
> residue GLY1 (Protein).

You didn't add KAC as Protein in residuetypes.dat. If you don't have 
permission to edit the system-wide file, put a copy in the working 
directory and edit that. It will take precedence over any other copy on 
the system.

-Justin

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Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

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