.coor and .vel output files not generated

From: Khoualdi Asma Feriel (asma.feriel.khoualdi_at_umontreal.ca)
Date: Thu Apr 09 2020 - 21:32:20 CDT

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

This archive was generated by hypermail 2.1.6 : Fri Dec 31 2021 - 23:17:08 CST