Dear All,
Suppose I have a very large protein-complex, and I want to do the molecular dynamics simulation of its activation center. If I do the molecular dynamics simulation of the whole, it will cost a lot of calculation. Suppose I only focus on the activation center, I am afraid in fact the part outsides of the activation center has relation with the dynamics simulation of the activation center.
Can you please introduce me the compromising method which take a look on the whole protein compplex but focus on the activation cnter? Can you introduce a tutorial on it to me?
I am looking forward to getting your reply.
Brett
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Mar 06 2015 - 05:30:02 PST
