Which molecular dynamics package are you using?
-James Holton
MAD Scientist
On 2/28/2020 7:00 AM, Firdous Tarique wrote:
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
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