From: Arturas Ziemys (ziemys_at_chbmeng.ohio-state.edu)
Date: Mon Dec 19 2005 - 14:06:00 CST
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
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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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