TMD SCRIPT

From: Samuel Morales (semorale_at_gmail.com)
Date: Sat Mar 22 2008 - 17:30:59 CDT

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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