[gmx-users] GaussView 4.0 and ITP adjuster

[MUSYOKA THOMMAS]

Dear Users,
I am trying to run Protein-Ligand MD simulations using GROMACS. However, i
seem to be lost in building correct ligand topologies. I came across an
article explaining that the above mentioned softwares can be used to build
a ligand topology file that can act as a guide in allocating correct
charges and charge groups. Is there anyone who have used them before? If
you have, would you kindly help me in finding my way especially in
generating .out files using the GaussView.



Thank you.