[gmx-users] gromacs error
jalemkul at vt.edu
Mon Oct 16 18:20:10 CEST 2017
On 10/16/17 12:17 PM, Rahma Dahmani wrote:
> 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 A. Lemkul, Ph.D.
Virginia Tech Department of Biochemistry
303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061
jalemkul at vt.edu | (540) 231-3129
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