VMD-L Mailing List

From: Daniel Fellner (dfel694_at_aucklanduni.ac.nz)
Date: Fri May 22 2020 - 01:24:18 CDT

While running the Gaussian input files, one of the calculations ran into a
segmentation violation error. Upon visually inspecting the initial
coordinates of the water, it appears that it's very close to one of the
other rings in my system. Is there some way to manually place this on the
other side (the opposite site of the ring is unobstructed)? Or would that
not be according to protocol? If not, how should I proceed?

*Daniel Fellner BSc(Hons)*
PhD Candidate
School of Chemical Sciences
University of Auckland
Ph +64211605326