Problem in restarting simulation

From: Pijush Ghosh (pijush.ghosh_at_ndsu.edu)
Date: Fri Sep 02 2005 - 10:54:54 CDT

• Next message: surendra negi: "CAN'T FIND BOND PARAMETERS FOR BOND FE - S"
• Previous message: LEWYN LI: "NAMD running only at 40-50% CPU capacity"
• Next in thread: surendra negi: "CAN'T FIND BOND PARAMETERS FOR BOND FE - S"
• Reply: surendra negi: "CAN'T FIND BOND PARAMETERS FOR BOND FE - S"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

Hi

 I am facing some problem in restarting my simulation. May be I am
committing some mistake in my configuration file. For my first simulation I
am using these commands in configuration file ( a part of course):

numsteps 1000

binaryoutput yes

restartname pijushrestart

restartfreq 10

to start my second simulation from the last point of the my first I am
using the following commands in the configuration file:

numsteps 2000

bincoordinates pijushrestart.coor

binvelocities pijushrestart.vel

I tried running the second configuration file but it is giving some error
related to the coordinate file and velocity file. Since I am running
simulations for longer time, I need to use restart option. I have tried with
binaryrestart option as 'yes' also. I am using NAMD 2.5. Any suggestion or
advice is highly appreciated.

Pijush.

Pijush Ghosh

PhD Student

Department of Civil Engineering

North Dakota State University

Fargo. ND. 58105. USA

Phone:

     701-231-6491(Lab)

     701-231-4341(Res)

• Next message: surendra negi: "CAN'T FIND BOND PARAMETERS FOR BOND FE - S"
• Previous message: LEWYN LI: "NAMD running only at 40-50% CPU capacity"
• Next in thread: surendra negi: "CAN'T FIND BOND PARAMETERS FOR BOND FE - S"
• Reply: surendra negi: "CAN'T FIND BOND PARAMETERS FOR BOND FE - S"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:39:53 CST