VMD-L Mailing List

From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Wed Jan 28 2015 - 07:26:42 CST

Into VMD console/TK console:

 

pbc wrap -all -compound res -center com -centersel protein

 

Norman Geist.

 

Von: owner-vmd-l_at_ks.uiuc.edu [mailto:owner-vmd-l_at_ks.uiuc.edu] Im Auftrag von
Sourav Ray
Gesendet: Mittwoch, 28. Januar 2015 12:15
An: vmd-l_at_ks.uiuc.edu
Betreff: vmd-l: Re-centering protein molecule

 

Hello

 

After running a NAMD simulation, when I run the .dcd file (with the
corresponding .psf), although the position of waterbox remains invariant.
The protein molecule fluctuates a lot, I would like to fix the center of the
protein molecule to the center of the box, can someone help me please.

Regards

Sourav Ray