From: Shirley Hui (shirleyhui_at_alumni.uwaterloo.ca)
Date: Tue Mar 08 2005 - 10:26:59 CST
I consulted the user guide and I should have used:
coordinates <PDB FILE>
bincoordinates <COOR FILE NAME>
It works now.
I just wanted to confirm though that in the guide it says that if bincoordinates and coordinates is specified that the coordinates are ignored. I hope that is the case - b/c NAMD would not start up if coordinates as the binary coordinate file. As long as the binary coordinates are being used I am happy.
Thanks,
shirley
----- Original Message -----
From: Shirley Hui
To: namd-l_at_ks.uiuc.edu
Sent: Tuesday, March 08, 2005 11:13 AM
Subject: NAMD restarts binary files
Hi,
I am trying to restart a simulation.
I have the coor, vel and xsc files that were generated, however they are in binary format.
Does this pose a problem when restarting?
When I try to restart I get the following error:
FATAL ERROR: Line too long in pdbfile RESTARTS/1hcl_solvate_restart.3000000.coor
shirley
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:40:34 CST