Replica exchange error message

From: Dirar Homouz (
Date: Mon Oct 29 2007 - 19:05:24 CDT

I'm running the replica exchange method on namd using the tcl script "replica_exchange.tcl" on a linux cluster:

"Linux 2.6.9-42.0.2.ELsmp #1 SMP Wed Aug 23 13:38:27 BST 2006 x86_64 x86_64 x86_64 GNU/Linux".

The command in the batch file looks like this:

tclsh ../replica_exchange.tcl /home/dirar/replica/example/fold_alanin.conf

The run doesn't go through, I get the following error message:

FATAL ERROR: Simulation config file is not accessible.

The log file looks like this:

Info: NAMD 2.6 for Linux-amd64-MPI
Info: Please visit
Info: and send feedback or bug reports to
Info: Please cite Phillips et al., J. Comp. Chem. 26:1781-1802 (2005)
Info: in all publications reporting results obtained with NAMD.
Info: Based on Charm++/Converse 50900 for mpi-linux-amd64
Info: Built Thu Jun 28 09:51:39 CDT 2007 by root on
Info: 1 NAMD 2.6 Linux-amd64-MPI 1 compute-0-8.local dirar
Info: Running on 1 processors.
Info: 7896 kB of memory in use.
Info: Memory usage based on mallinfo
Info: Found 2 config files.
Info: Configuration file is +netpoll
FATAL ERROR: Simulation config file is not accessible.
Stack Traceback:
  [0] CmiAbort+0x2b [0x75f899]
  [1] _Z8NAMD_diePKc+0x4a [0x4a630a]
  [2] main+0x1f5 [0x4a9445]
  [3] __libc_start_main+0xdb [0x345dd1c3fb]
  [4] fmod+0xaa [0x4a5c0a]

Peek-a-boo FREE Tricks & Treats for You!

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:45:26 CST