From: sripad chandan (
Date: Tue Oct 21 2008 - 05:30:12 CDT

Hi Friends,
After a fixed proteim minimization I want to extend it with a minimization
with fixed backbone.
so in restart conf file i have mentioned .restart.coor, .restart.vel, .xsc
should i have to specify *same* #PME (for full-system periodic
electrostatics) (i.e PMEGridSizeX, Y, Z) and # Constant Pressure Control
(variable volume)?
or these conditions will be read from above restart files.
thanks a lot.

Sripad Chandan Patnaik
Research ssistant
National Institute of Technology, Rourkela

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:50:00 CST