[gmx-users] ligand topology
Mohammad Zahidul Hossain Khan
za.parash at gmail.com
Mon Jul 31 20:42:36 CEST 2017
I am new for protein-ligand complex. I want amber force field (ff03) for my
protein, tip3p for water model and gaff (General Amber force field) for
ligand. I do not know how to produce gaff force field from pdb and then
convert for gromacs topology.
I have tried ff03 with gromos ligand topology and tip3p water model
it gives me the error:
atomtype OM not found
and when I have tried ff03 with gromos topology and spc water model it
gives me the error like:
atomtype HW not found.
Can anyone help me about it?
*Mohammad Zahidul Hossain Khan Graduate student**Department of Physics*
*Email: khan5121 at vandals.uidaho.edu <khan5121 at vandals.uidaho.edu>*
* Skype: parash.khan2*
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