Re: RAMD Setting parameter TclForces from script failed

From: Jim Phillips (jim_at_ks.uiuc.edu)
Date: Mon Mar 28 2011 - 14:33:32 CDT

It looks like you have "tclForces on" after run or minimize in your config
file, so possibly your tclForces script was not active during the RAMD run
at all.

-Jim

On Mon, 28 Mar 2011, Francesco Pietra wrote:

> Hi:
> I carried out a trial RAMD simulation with namd.2.8 (from binary
> Linux64) charmmff for a protein-organic-ligand in a lipidic membrane.
>
> The simulation ended correctly at the bare 100 chosen steps, the
> ligand did not move - as expected from 1000 steps acc 0.3 ts 1fs.
> Everything seems OK except the error below. I vaguely remember that
> Vlad warned me in the past to compile namd in order that ramd exists
> correctly. Was that the same errior message or anything new about
> which I should now care?
>
> thanks
> francesco pietra
>
> **************************
>
> ENERGY: 1000 10573.6218 17958.2104 9301.2411
> 779.3272 -763083.0117 55270.6864 0.0000
> 1.9652 144208.1552 -524989.8044 308.8680
> -669197.9596 -524727.0908 309.0692 -173.1971
> -32.1881 2166358.3052 -35.4825 -31.7813
>
> WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1000
> WRITING COORDINATES TO DCD FILE AT STEP 1000
> WRITING COORDINATES TO RESTART FILE AT STEP 1000
> FINISHED WRITING RESTART COORDINATES
> The last position output (seq=1000) takes 0.134 seconds, 744.610 MB of
> memory in use
> WRITING VELOCITIES TO RESTART FILE AT STEP 1000
> FINISHED WRITING RESTART VELOCITIES
> The last velocity output (seq=1000) takes 0.021 seconds, 744.609 MB of
> memory in use
> TCL: Setting parameter TclForces to on
> FATAL ERROR: Setting parameter TclForces from script failed!
>
> FATAL ERROR: Setting parameter TclForces from script failed!
>
> ------------- Processor 1 Exiting: Called CmiAbort ------------
> Reason: FATAL ERROR: Setting parameter TclForces from script failed!
>
>
> FATAL ERROR: Setting parameter TclForces from script failed!
>
> ------------- Processor 3 Exiting: Called CmiAbort ------------
> Reason: FATAL ERROR: Setting parameter TclForces from script failed!
>
>
> ------------- Processor 0 Exiting: Called CmiAbort ------------
> Reason: FATAL ERROR: Setting parameter TclForces from script failed!
>
>
> FATAL ERROR: Setting parameter TclForces from script failed!
>
> ------------- Processor 2 Exiting: Called CmiAbort ------------
> Reason: FATAL ERROR: Setting parameter TclForces from script failed!
> **************************
>

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