Vectors and indexing in VMD

From: Chun Heung Wong (w.chunheung_at_gmail.com)
Date: Tue Jan 23 2018 - 06:16:00 CST

Dear all,

I am trying to make my first MD simulation in NAMD, by adapting the
Nanopore-tutorial files on the website. To accurately set up my problem, I
need to shift some atoms around along a specific vector. The vector
components were calculated in previous code, lets say (a, b, c).

I have 2 difficulties:
# Example vector components
set a 0
set b 1
set c 2

#Creating vector from previous variables
set mov_vec {$a, $b, $c}
puts $mov_vec

it returns: $a, $b, $c
instead of 0, 1, 2

Furthermore, for a given vector "set vec {0,1,2}", I cannot access vector
components with e.g. vec(1), vec[1], vec{1} etc.

I tried looking up the syntax, but I believe it is not documented. I fixed
my specific problem by just hard-coding the right coordinates in, but is
there any way to assign vectors using previously declared variables and to
access vector components?

Yours sincerely,

Chun Heung Wong

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