VMD-L Mailing List

From: JC Gumbart (gumbart_at_ks.uiuc.edu)
Date: Mon Aug 22 2005 - 00:32:39 CDT

Assuming you have DPPS defined in a topology file, the best way would be to
use PSFGen to mutate each one, then use NAMD to minimize the resulting
assembly.

 

 

  _____

From: owner-vmd-l_at_ks.uiuc.edu [mailto:owner-vmd-l_at_ks.uiuc.edu] On Behalf Of
Viswanadham Sridhara
Sent: Sunday, August 21, 2005 12:25 PM
To: vmd-l_at_ks.uiuc.edu
Subject: vmd-l: Replacing DPPC with DPPS

 

Hi VMD users,
I was wondering whether there is any way in which I can replace a molecule
of DPPC with DPPS.
I have 40 DPPC molecules in my system(DPPC has 50 atoms). I want to replace
one DPPC molecule with DPPS (DPPS has 53 atoms).
If DPPS has 50 atoms too, then it would have been much easier.
Finding the co-ordinates in 3-D space is a bit difficult task, I may be
doing it the wrong way.
Thanks in advance!
-V.