Dear AMBER Community,
Is there a way to print out with CPPTRAJ the x, y, and z components of the minimum displacement between two groups?
I know that the mindist option to nativecontacts will give the minimum distance, but I need the x, y, and z components used to compute that distance. If I need to add a print statement to the source code, can you please direct me to where I should do that?
Best,
Matthew
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Mar 09 2023 - 10:30:03 PST
