[gmx-users] LINCS ERROR WITH LIGAND

[Raj Badhan]

Dear Users,
I am running a PR simulation with a protein + ligand in a water box.
However, LINCS complains about the usual rotations, but these 
rotations involve bonds within the LIGAND (ATP) as opposed to the 
protein.
Any assitance would be appreciated!

Raj Badhan
Postgraduate researcher
School of Pharmacy and Pharmacetical Science
The University of Manchester
Manchester, UK.