[AMBER] trajectory of mutation generation (Geng Dong)

From: <gdong.stu.edu.cn>
Date: Sun, 17 Oct 2021 09:32:48 +0000

Hi all,
I would to calculate the difference of nonbond interaction between wildtype and mutation (to alanine) protein. I have a trajectory for wildtype. Can I generate a mutated (to alanine) trajectory, directly. I know that the mutated trajectory can be generated by mmpbsa.py in alanine scanning calculation. What program is used in mmpbsa.py?
Best,
Geng
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun Oct 17 2021 - 03:00:03 PDT
Custom Search