Dear Justin,
I had installed ambertools and followed the tutorial -
http://ambermd.org/tutorials/advanced/tutorial20/mcpbpy.htm
Currently, I am using gaussian to run the optimization part for obtaining
parameters. During the process, I realized that the ligand is not picked up
as a residue
On 12/24/18 10:11 AM, Prasanth G, Research Scholar wrote:
Dear all,
One of the proteins of my interest, has a FE2+ in the center and as it
plays a main role in the activity of the protein, it cannot be removed.
Can you please suggest a solution. I have tried with CHARMM and GROMOS,
with no
Dear all,
One of the proteins of my interest, has a FE2+ in the center and as it
plays a main role in the activity of the protein, it cannot be removed.
Can you please suggest a solution. I have tried with CHARMM and GROMOS,
with no success.
After reading a bit, I understood that, the charges on
