Restarting MD (Disabling Checklist)

From: Babban Mia (babbanmia_at_gmail.com)
Date: Thu Aug 18 2011 - 10:58:55 CDT

While writing a restart config file and using binVelocities
${name}.restart.vel

What options need to be disabled ?

Check list :
temperature 310
langevinTemp 310
langevinPistonTemp 310
reinitvels 310

Is there anything more which needs to be disabled ?

I figured out that even though we load in the coordinates through a
<binCoordinates ${name}.restart.coor> restart file. We still
need to use the option :
coordinates ${name}.pdb

Why is that ?

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:57:36 CST