FATAL ERROR Unknown parameter in charmm parameter file

From: Cat Chenal (catchenal_at_gmail.com)
Date: Mon Jul 01 2013 - 13:19:27 CDT

Hi,

I have seen numerous postings with apparently the same problem, but none
stated how the problem was fixed...

I am using namd2.9 and this is what I get in my error log after a core dump:

Reason: FATAL ERROR: UNKNOWN PARAMETER IN CHARMM PARAMETER FILE
/myfolder/toppar/v27/top_all27_prot_lipid.inp
LINE=*27 1*

If I comment out the version line, then I get the exact same error
statement except now the LINE indicator has moved to the next line that is
not a comment line (e.g. LINE=*MASS...*);

If I remove this file (the other one I am using is a 'par' file), then I am
missing a vdW parameter for some atoms, so I have to have it.

Since I have reformatted my files (to unix) after transferring them from my
laptop where I use VMD for the system prep, this is not the issue.

Can someone give some light on how the version number/line is used?
Also, are there specific guidelines for creating combined files?

Thanks

-- 
Best regards,
Cat Chenal
Ph.D. candidate
Prof. Gunner's Biophysics Lab
The City College of New York
MR 307B
212.650.6807

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