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,
http://www.gromacs.org/Documentation/How-tos/Adding_a_Residue_to_a_Force_Field
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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