From: Michel Espinoza-Fonseca (mef_at_ddt.biochem.umn.edu)
Date: Mon Dec 19 2005 - 15:30:41 CST
Hi,
Seems to be (if I'm not wrong) that your CHARMM parameter file is corrupted and/or contaminated. Try to download it (again) from Alex Mackerell's site, and see if it works.
As you know, topology and parameters files are very "sensitive", and sometimes when they are downloaded from other sources they contain some "dirt" that NAMD is unable to recognize.
Hope it works,
Michel
________________________________
From: owner-namd-l_at_ks.uiuc.edu on behalf of Arturas Ziemys
Sent: Mon 12/19/2005 2:06 PM
To: namd-l_at_ks.uiuc.edu
Subject: namd-l: charmm27 fatal error
HI,
I'm new to NAMD (but nor MD). I test NAMD 2.6b1 with 1UBQ tutorial and my own protein in water box.
In all cases I get fatal error (see output below). How can it be explained ?
With best
Arturas
...............................................................
Info: COORDINATE PDB ubq_wb.pdb
Info: STRUCTURE FILE ubq_wb.psf
Info: PARAMETER file: CHARMM format!
Info: PARAMETERS top_all27_prot_lipid.inp
Info: USING ARITHMETIC MEAN TO COMBINE L-J SIGMA PARAMETERS
FATAL ERROR: UNKNOWN PARAMETER IN CHARMM PARAMETER FILE top_all27_prot_lipid.inp
LINE=*27 1*
------------- Processor 0 Exiting: Called CmiAbort ------------
Reason: FATAL ERROR: UNKNOWN PARAMETER IN CHARMM PARAMETER FILE top_all27_prot_lipid.inp
LINE=*27 1*
Charm++ fatal error:
FATAL ERROR: UNKNOWN PARAMETER IN CHARMM PARAMETER FILE top_all27_prot_lipid.inp
LINE=*27 1*
abnormal program termination
.................................................................
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