Hi,<br><br>I noticed that the Initial temperature reported in the logfile is about zero, when restarting from a state file with step number ending on 0 using -nosum (nstlist=10). When the step number is ending on 1 it is OK. Also the ekinh information in the state file is very low for state files with step number ending on 0. I'm aware that the energy averages are only updated every neighborlist step with -nosum. Is this behavoir thus OK? If it is we may want to update the initial temperature output to not confuse people.<br>
<br>Roland<br clear="all"><br>-- <br>ORNL/UT Center for Molecular Biophysics <a href="http://cmb.ornl.gov">cmb.ornl.gov</a><br>865-241-1537, ORNL PO BOX 2008 MS6309<br>