Hi,
I have been trying to run AMBER FULL MD SETUP, but getting stuck/ getting an error at the neutralizing step. My protein is neutral. How do I go ahead? please guide.
Hi Gayatri,
please check your input structure. I see in the log files disconnected residues and a chain with only one residue. All these can affect the setup.
Please contact us again if you still have problems.
Regards,
-Adam-