[gmx-users] md simulation of oil hydrocarbon / L-OPLS
jalemkul at vt.edu
Tue May 29 21:01:20 CEST 2018
On 5/29/18 2:50 PM, Atila Petrosian wrote:
> I did what was in README for octane molecule, but:
> Fatal error:
> Residue 'LIG' not found in residue topology database.
Your input coordinates use a generic name (that most model-building
programs use) that pdb2gmx doesn't recognize. Rename appropriately
according to what the .rtp file wants.
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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