Hi all,
In the Amber manual it says that if outxyz=1 that the DUMPAVE should have
the x,y,z components of the distance printed to it. I am running a steered
MD simulation (jar=1) and using the outxyz parameter and see the same thing
printed to the DUMPAVE file whether I set outxyz=0 or 1. This is true
whether I set fxyz=0,0,1 or fxyz=1,1,1. Is outxyz not available in
pmemd.cuda? I am running fully patched/updated Amber18. I can provide more
details if needed.
Thanks for your help.
Kind regards,
Joe
------
Joseph Baker, PhD
Associate Professor
Department of Chemistry
C212 Science Complex
The College of New Jersey
Ewing, NJ 08628
Phone: (609) 771-3173
Web: http://bakerj.pages.tcnj.edu/
Pronouns: he/him/his
Chair/Chair-elect (2019), Trenton Local Section of the ACS
Chemistry Division Councilor (2018-2021), The Council on Undergraduate
Research
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Received on Thu Dec 05 2019 - 19:30:02 PST
