Dear AMBER Community,
I am following the antechamber tutorial for my system (
https://ambermd.org/tutorials/basic/tutorial4b/index.html).
During the minimization step, the wall clock limit was hit before completion of the minimization.
Shall it affect the structure of output files, and prevents me from going to next step i.e., equilibration.
Do I have to restart the minimization by decreasing the minimization steps so that it will be finished before hitting the wall limit OR I don’t have to worry about it, and I can continue with existing files, if yes then how?
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
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Received on Mon Oct 05 2020 - 08:30:02 PDT
