Professor. Roe,
Thanks you for prompt reply.
I got Temperature successfully, with AmberTools18.
Thanks again.
Kurisaki
Hi,
You don$B!G(Bt want to use velocity as coordinates here - temperature is a
function of velocity, so cpptraj expects velocities. Use $B!F(Btrajin traj.nc
mdvel md.mdvlc$B!G(B to read in coordinates from traj.nc and velocities from
md.mdvlc.
Cpptraj should kick back at least a warning if velocities arent present for
temperature. If it doesn't I need to fix that.
-Dan
===========================================
$B7*:j0J5WCK(B/ Ikuo KURISAKI
$B?.8MBg3XBg3X1!%7%9%F%`>pJs3X8&5f2J(B
$B7W;;2J3X.l96!!FCL?9V;U(B/
Graduate School of System Informatics, Kobe University
Department of Computational Science Project-Oriented Lecturer
E-mail: kurisaki.bear.kobe-u.ac.jp
===========================================
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Received on Mon Sep 03 2018 - 07:00:02 PDT
