TMD SCRIPT

From: Sebastian Stolzenberg (s.stolzenberg_at_gmail.com)
Date: Thu Apr 29 2010 - 11:11:42 CDT

Dear All,

Any update on this problem here?

Thanks,
Sebastian

> Dear NAMD users
>
> I am trying a TMD to the movement of K + channel. I want to carry out
> a TMD,
> with a gradual increasing force (TMDk) and adding some relaxation steps
> between each increment. My idea is to make a "for" cycle like this,
> for the
> parameters of TMD in NAMD:
>
> TMD on
> TMDoutputFreq 5
> TMDFile Final.pdb
> TMDFirststep 0
> TMDLaststep 100
> TMDFinalRMSD 0
> for { set k 10} {$k<=200} {incr i 10} {
> TMDk $k
> run 200
> }
>
> But, in implementing the script, the following message appears
> FATAL ERROR: Setting parameter TMDk from script failed!,
> Thereby understand that it is not possible to set twice a single variable.
> Please, I need your help and guide to make this step in NAMD
>
> Thank you very much,
>
> Samuel Morales

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