[gmx-users] gromacs error

[Justin Lemkul]

On 10/16/17 12:17 PM, Rahma Dahmani wrote:
> Hi,
> How can i rectify the following GROMACS error?
> Fatal error:
> atom HN2 in residue LYS2 was not found in rtp enetry NYLS with 24 atoms
> while sorting atoms.

Either correct the atom names to what the force field expects, or 
simplify life and use -ignh to have pdb2gmx rebuild the H atoms.

-Justin

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

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