[gmx-users] How to add new residue(LIG reisdue)?

Justin Lemkul jalemkul at vt.edu
Sun Aug 5 22:47:49 CEST 2012

On 8/5/12 4:46 PM, Ali Alizadeh wrote:
> Dear all users
> In my pdb file that contain ethane or propane or other molecules,
> there are LIG residue in my pdb file that gromacs could not found
> them, how to add this LIG(in our pdb files)  for my force field?
> This residue(LIG) exists in all pdb files for each simple molecules,




Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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