[AMBER] autoimage bug?

From: Filip Persson <filip.persson.bpc.lu.se>
Date: Mon, 29 Aug 2016 14:36:24 +0200

Dear Amber users!
I noticed that the autoimage routine in cpptraj produce inconsistent
results depening on the trajout file format; when writing output in the
(binary) trajectory format netcdf (.nc) I get the correct centering and
imaging of my system, but not when using the Amber trajectory format
(.crd). My input files are in default (.crd) Amber trajectory file
format. Is this a bug in cpptraj?

Best regards,

Filip Persson, PhD student
Biophysical Chemistry
Lund University, Sweden

AMBER mailing list
Received on Mon Aug 29 2016 - 06:00:09 PDT
Custom Search