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From: Gregorio Alanislobato (gregorio.alanislobato_at_kaust.edu.sa)
Date: Tue Aug 17 2010 - 16:12:22 CDT

Hi,

I'm performing a Replica Exchange MD but the protein I'm folding is a coarse
grained model. I'm enqueuing my job with PBS and everything seems to work
fine but I get the next error after a couple of seconds:

SERVER: outputEnergies 1000
SERVER: dcdFreq 1000000
SERVER: source REcontrol.namd; run 0; save_array
errpipe 4: ------------- Processor 0 Exiting: Called CmiAbort ------------
errpipe 4: Reason: FATAL ERROR: BAD BOND FORMAT IN XPLOR PARAMETER FILE
errpipe 5: ------------- Processor 0 Exiting: Called CmiAbort ------------
errpipe 4: LINE=*BONDS*
errpipe 5: Reason: FATAL ERROR: BAD BOND FORMAT IN XPLOR PARAMETER FILE

I'm using the rbcg-2007.par file. It seems that NAMD's REMD tcl doesn't like
the Bond format there... What can I do?

Regards, 

-- 
Gregorio Alanís Lobato, BSc
4700 KAUST Mail Box: 1899
Thuwal 23955–6900, KSA
Student ID: 100037943
Badge #: 101969
Mobile Phone: +966-564-75-14-14
e-mail: gregorio.alanislobato_at_kaust.edu.sa