Hello everyone I am trying to run a molecular dynamics simulation of a protein which has a Zn atom and few phosphorylated PTMs (Thr is phosphorylated). PTMs and Zn play essential roles to maintain the structural integrity and therefore cannot be removed rather I want to keep both of them for my run. I facing a problem in choosing a force field where running the program keeping both the molecules is not a problem.
Kindly suggest me how to proceed with this molecular dynamics run. Best Kahkashan ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
