restart_minimization

From: sripad chandan (sripadchandan_at_gmail.com)
Date: Tue Oct 21 2008 - 05:30:12 CDT

• Next message: Peter Freddolino: "Re: restart_minimization"
• Previous message: Hiroaki Maekawa: "Re: from NPT to NVT"
• Next in thread: Peter Freddolino: "Re: restart_minimization"
• Reply: Peter Freddolino: "Re: restart_minimization"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

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
files.
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.
chandan

-- 
Sripad Chandan Patnaik
Research ssistant
National Institute of Technology, Rourkela
+91-9861668977

• Next message: Peter Freddolino: "Re: restart_minimization"
• Previous message: Hiroaki Maekawa: "Re: from NPT to NVT"
• Next in thread: Peter Freddolino: "Re: restart_minimization"
• Reply: Peter Freddolino: "Re: restart_minimization"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

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