From: Maria Bykhovskaia (mb.ucdelcaribe_at_gmail.com)
Date: Wed Aug 20 2014 - 17:40:30 CDT
Hi,
for some reason I cannot wrap the molecule over the entire trajectory,
since the command
pbc wrap -all
produces this error:
-error Suspicious pbc side length (a=0.000000 b=0.000000 c). Have you
forgotten to set the pbc parameters?
domain error: argument not in valid range
At the same time the command "pbc wrap" works (but wraps one frame)
Will appreciate any insights.
Thanks!
Maria
-- Maria Bykhovskaia Professor and Chair, Neuroscience Department Director, Specialized Neuroscience Research Program Universidad Central del Caribe Bayamon, Puerto Rico http://maria.ucdelcaribe.org http://neuro.ucdelcaribe.org http://SNRP.uccaribe.net
This archive was generated by hypermail 2.1.6 : Wed Dec 31 2014 - 23:22:44 CST