Dear AMBER Community,
I have question about CPPTRAJ. I have to perform RMSD, RMSF, HBOND, SASA,& RoG analysis on around 20 complexes through a shell script based batch job.
For a given complex, do I have to load topology & trajectory file for all of the individual analysis separately or I can just load it once and then perform RMSD, RMSF, HBOND, SASA, & RoG analysis one by one?
Thank you.
——
Jatin Kashyap
Ph.D. Student
Dr. Dibakar Datta Group
Department of Mechanical and Industrial Engineering
New Jersey Institute of Technology (NJIT)
University Heights
Newark, NJ 07102-1982
Phone- (201)889-5783
Email- jk435.njit.edu
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Mar 19 2021 - 14:30:01 PDT
