From: Cat Chenal (catchenal_at_gmail.com)
Date: Mon Jul 01 2013 - 13:19:27 CDT
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
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?
-- Best regards, Cat Chenal Ph.D. candidate Prof. Gunner's Biophysics Lab The City College of New York MR 307B 212.650.6807
This archive was generated by hypermail 2.1.6 : Wed Dec 31 2014 - 23:21:22 CST