VMD-L Mailing List

From: Manish (manish.datt_at_hotmail.com)
Date: Tue Oct 18 2011 - 14:33:15 CDT

Hi,

 

It seems I messed up the file names such that IED is was expecting gromacs
files. After renaming the file the problem is solved.

 

Regards,

 

Manish

 

From: owner-vmd-l_at_ks.uiuc.edu [mailto:owner-vmd-l_at_ks.uiuc.edu] On Behalf Of
Manish
Sent: Tuesday, October 18, 2011 2:39 PM
To: vmd-l_at_ks.uiuc.edu
Subject: vmd-l: Error running IED

 

Hi All,

 

I'm getting following error while running IED with VMD1.8.6:

vmd > Cannot read header fromm '/home/mdatt/ied-2.02/evecs-ca.trr', no error

ERROR) Could not read file /home/mdatt/ied-2.02/evecs-ca.trr

Exception in Tkinter callback

Traceback (most recent call last):

  File "/home/mdatt/VMD1.8.6/lib/vmd/scripts/python/Tkinter.py", line 1340,
in __call__

    return apply(self.func, args)

  File "VMD", line 437, in loadFiles

  File "VMD", line 48, in loadFromFiles

  File "VMD", line 156, in loadEVec

  File "/home/mdatt/VMD1.8.6/lib/vmd/scripts/python/Molecule.py", line 108,
in load

    raise IOError, "Unable to load file: %s" % filename

IOError: Unable to load file: /home/mdatt/ied-2.02/evecs-ca.trr

 

---------------------

 

The evecs-ca.trr file was generated using PTRAJ. Could anyone please suggest
how to solve this error.

 

Regards,

 

Manish