Tutorial-l Mailing List

From: Rocco Caliandro (rocco.caliandro_at_ic.cnr.it)
Date: Mon May 03 2010 - 11:49:27 CDT

Dear all,

    I'm a new user of NAMD and
I tried to minimize a protein containing
heme. I succeeded in producing the *.psf and
in solvating it. I created the conf file, but
when executing I had this error:

FATAL ERROR: CAN'T FIND BOND PARAMETERS FOR BOND C - CPB IN PARAMETER
FILES

I'm using the parameter file
par_all27_prot_lipid_na.inp

I had the same error with the files of EXE3 of myoglobin
tutorial (mb-wet.psf and mb-wet.pdb).

In attachment you can find the complete output obtained.

Could you give me an hint on how to avoid this problem?
Thank you,
            Rocco

    

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