Dear all,
I encountered a problem while trying to run NAMD 2.8 using Amber
forcefield. I created the prmtop and inpcrd files using AmberTools 1.2 and
used them to run NAMD.
However it failed with the error - ' FATAL ERROR: Failed to read AMBER
parm file! '
The end part of the output file is as follows:
Reading parm file (prp_3sod_11238.prmtop) ...
Command = zcat prp_3sod_11238.prmtop.Z
Filename.Z = prp_3sod_11238.prmtop.Z
Command = gzip -d -c prp_3sod_11238.prmtop.gz
Filename.gz = prp_3sod_11238.prmtop.gz
FATAL ERROR: Failed to read AMBER parm file!
[0] Stack Traceback:
[0:0] CmiAbort+0x7b [0xbf1bd9]
[0:1] _Z8NAMD_diePKc+0x62 [0x535542]
[0:2] _ZN9NamdState14configListInitEP10ConfigList+0xcb4 [0x9fc42a]
[0:3] _ZN9ScriptTcl9initcheckEv+0x5e [0xa7c342]
[0:4] _ZN9ScriptTcl3runEv+0x66 [0xa77eec]
[0:5] _Z18after_backend_initiPPc+0x4fd [0x539d7d]
[0:6] main+0x3a [0x53984a]
[0:7] __libc_start_main+0xf4 [0x3d8461d994]
[0:8] _ZNSt8ios_base4InitD1Ev+0x4a [0x534e3a]
I'm unable to figure out the error. Could you help me out?
I've attached the top, coor and the output files. PFA.
Regards,
Sneha Menon
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Received on Wed Nov 07 2012 - 04:30:02 PST
