Hi, Amber fellows and experts,
I have one MD simulations with 1000 frames, and I want to calculate the
surface area of some part of one protein to another part of the protein
which is in a different PDB. My current plan is to extract each single
frame from the MD simulations as PDB and concatenate the other protein to
each frame to make them one PDB, so I can do the surface area calculation
as one frame.
I wonder if there is any CPPTRAJ or analysis tool I can use to run the
calculation? or any other calculation I can perform to run the
protein protein surface contact?
Best,
King
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Aug 08 2024 - 13:30:02 PDT
