Dear AMBER community,
Forgive me for this trivial question, but I couldn't find an answer in the
manual or the mailing list (perhaps I did not search with the right terms).
I want to start a second simulation from some point of the first one with
different velocities, but I also need to reset the TIME(PS). Is there any
way to do that either on the fly or "post hoc" with ptraj?
thanks,
Thomas
--
======================================================================
Thomas Evangelidis
PhD student
University of Athens
Faculty of Pharmacy
Department of Pharmaceutical Chemistry
Panepistimioupoli-Zografou
157 71 Athens
GREECE
email: tevang.pharm.uoa.gr
tevang3.gmail.com
website: https://sites.google.com/site/thomasevangelidishomepage/
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Received on Fri Feb 08 2013 - 02:00:03 PST