Re: .coor and .vel output files not generated

From: Khoualdi Asma Feriel (asma.feriel.khoualdi_at_umontreal.ca)
Date: Fri Apr 10 2020 - 00:35:08 CDT

Dear all,

Thank you so much for your reply. I fixed the semi colon issue in the following

Reason: FATAL ERROR: too many args

    while executing

"run 50000 #50 ps"

    (file "step6.1_equilibration.inp" line 171)

I ran the script again and am waiting for it to be over at least for step 6.1 to check if solving semicolon problem also solves the output of .coor and .xsc and .vel ..

@Chandni Tiwari<mailto:chandni.tiwari_at_monash.edu> Kindly find my configuration file attached.

Thank you all very much.

Best,

Asma Feriel

________________________________
From: Chandni Tiwari <chandni.tiwari_at_monash.edu>
Sent: April 10, 2020 1:22 AM
To: Khoualdi Asma Feriel <asma.feriel.khoualdi_at_umontreal.ca>
Subject: Re: namd-l: .coor and .vel output files not generated

Hi Khoualdi,

Please let me know how your configuration file looks like.

On Fri, 10 Apr 2020 at 12:56, Khoualdi Asma Feriel <asma.feriel.khoualdi_at_umontreal.ca<mailto:asma.feriel.khoualdi_at_umontreal.ca>> wrote:
Hello,

Simple question: I used CHARMMGUI NAMD input equilibration files and used NAMD2 to get output and log files, yet I don't get .coor .vel and .xsc of equilibration step 6.1 so step 6.2 gives me fatal error that its unable to open extended file system.

I reduced numsteps and run steps but the issue persists. It now also says

Reason: FATAL ERROR: too many args

    while executing

"run 50000 #50 ps"

    (file "step6.1_equilibration.inp" line 171)

Charm++ fatal error:

FATAL ERROR: too many args

    while executing

"run 50000 #50 ps"

    (file "step6.1_equilibration.inp" line 171)

Abort (core dumped)

------------- Processor 0 Exiting: Called CmiAbort ------------

Reason: FATAL ERROR: Unable to open extended system file.

Please help me out, been stuck for days and I haven't received a reply earlier.

Thank you.

Best,

Asma

--
Regards
Chandni Tiwari

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