VMD-L Mailing List

From: Balazs Jojart (jojartb_at_gmail.com)
Date: Sat Dec 19 2009 - 12:16:22 CST

Dear All,
I performed MD simulation of a membrane protein in membrane environment.
My protein moves from the periodic box (which is normal I know), and I
would like to wrap it in the unit cell, and to set the unit cell center
on the protein com.
I used the following commands:
set center [atomselect top protein]
pbc wrap -centersel $center -center com -compound res

and I obtained the following error message:
atomselect: cannot parse selection text: (atomselect42)

I made a mistake in the commands, or there is other issue?
How can I make the wrapping?
Any help will be appreciated!
Thanks!
Balazs