Fatal error:

From: vivek sharma (vivek.sharma_at_helsinki.fi)
Date: Thu Aug 04 2005 - 07:58:30 CDT

Dear NAMD users,

I am running this script in NAMD,but it runs just for one step (i.e. i=3),
but then fails for i=4 with the error mentioned below:
----------script-------------
 for {set i 3} {$i <= 4} {incr i} {
        temperature 310
 
        timestep 1.0
 
 
        structure biselliprotsku.psf
        paraTypeCharmm on
        parameters par_all27_prot_lipid.inp
        exclude scaled1-4
        1-4scaling 1.0
        switching on
        switchdist 47.0
        cutoff 50.0
        pairlistdist 60.5
 
        stepspercycle 1
 
 
        pairInteraction on
        pairInteractionFile pairs.pdb
        pairInteractionCol B
        pairInteractionGroup1 1
        pairInteractionGroup2 2
 
        outputEnergies 1
 
 
        coordinates orient$i.pdb
 
        outputname results$i
        binaryoutput no
        run 0
}

----------error-------------
TCL: Setting parameter temperature to 310
FATAL ERROR: Setting parameter temperature from script failed!
-------------

Could you please suggest the solution?

THanks in advance.

Regards,

Vivek 

-- 
VIVEK SHARMA
HBG BI
"Basic research is what I'm doing when I don't know what I'm doing."
                                                  - Werner von Braun

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