FW: simulation configuration file not accesible - other reasons

From: CHINDEA Vlad (vchindea_at_hotmail.com)
Date: Fri Nov 20 2009 - 17:57:29 CST

Dear Richard

I allways run with

namd2 xxx.conf > yyy.log

and it is not an issue of psf, pdb, param files (which BTW are exactly placed as suggested) because the program hangs up before needing any of these resources (as witnessed by log file).

I think there has to be some other more obscure reason for this behaviour.

Regards
Vlad

Subject: RE: namd-l: simulation configuration file not accesible - other reasons
Date: Thu, 19 Nov 2009 17:38:15 -0600
From: rowczarzy_at_idtdna.com
To: namd-l_at_ks.uiuc.edu

Did you specify your configuration file (e.g.
run.conf) in command prompt?

 

namd2.exe +p2 run.conf

 

I usually copy namd2.exe and all input
files in the same directory.

You need:

Namd2.exe

Configuration file (e.g., run.conf)

The files specified in configuration file:

Structure file (*.psf)

Coordinate file (*.pdb)

Parameter file used to
make psf (e.g., par_all27_prot_lipid_na.inp)

 

You need to specify those files in the
configuration file.

 

Sincerely,

 

Richard

 

From: owner-namd-l_at_ks.uiuc.edu
[mailto:owner-namd-l_at_ks.uiuc.edu] On Behalf
Of CHINDEA Vlad

Sent: Thursday, November 19, 2009
4:46 PM

To: NAMD list

Subject: namd-l: simulation
configuration file not accesible - other reasons

 

Hi everybody

I recently installed pre-compiled NAMD on a Windows platform but when trying to
run tutorial sample files I get all the time the above message.

Besides obviouse problems like path issues are there any other possible causes
for this error ?

I have tryed placing all simulation files in NAMD directory (which is declared
in PATH variable), or used absolute paths but nothing works.

Kind regards

Vlad

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