From: Deng, Jinxia (Nancy) (jinxianancy.deng_at_zoetis.com)
Date: Thu Dec 03 2015 - 08:37:14 CST
Hi All,
I am attempting to run MD of heterogeneous membrane (bilayer lipid). All the structures and its input files were generated by Charmm-gui interface.
I got six-step input files for equilibration by NAMD (herein attached the first input). And I used the below command to launch NAMD, but got error (attached below). So just wonder whether you could help me out of this. I guess I did not know the right syntax to call program and the input files...
Errors:
dengj01_at_kzdlpogo2 charmm-gui]$ /sc/kzd/app/x86_64/namd/2.10/namd2 step6.1_equilibration.inp > test.out &
[1] 7467
[dengj01_at_kzdlpogo2 charmm-gui]$ ------------- Processor 0 Exiting: Called CmiAbort ------------
Reason: FATAL ERROR: wrong # args: should be "open fileName ?access? ?permissions?"
while executing
"open read unit 10 card name step5_assembly.psf"
(file "step6.1_equilibration.inp" line 16)
Charm++ fatal error:
FATAL ERROR: wrong # args: should be "open fileName ?access? ?permissions?"
while executing
"open read unit 10 card name step5_assembly.psf"
(file "step6.1_equilibration.inp" line 16)
[1] Abort /sc/kzd/app/x86_64/namd/2.10/namd2 step6.1_equilibration.inp > test.out (core dumped)
Any of your input is desperately appreciated.
Nancy
Nancy Deng, Ph.D. | Principal Scientist, Computational Chemistry & Molecular Modeling
Zoetis Inc| Global Therapeutics Research | 333 Portage Street, Kalamazoo, MI 49007
Office: 2693599121 | jinxianancy.deng_at_zoetis.com
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