VMD-L Mailing List

From: Karteek Kumar (karthik3327_at_gmail.com)
Date: Fri May 12 2017 - 10:37:45 CDT

Hello users,

I am trying to obtain the RDF for the mapped All-Atom trajectory for
martini CG model.
I have loaded 1000 AA water molecules and used (Extensions -> modeling ->
CG builder) to create the mapped trajectory.
I could see 1000 beads but as Martini water CG model is 4:1, I would rather
expect only 250 beads.
Even the water.cgc shows that 4 water molecules are grouped.

I am not understanding what I am missing? Any help on this is greatly
appreciated.
Alternatively, I would be happy to know any other methods to get RDF for
the mapped AA trajectory.

Thanks in advance.
Karteek

water.cgc file shows
#########
CGBEGIN
TIP3 H2O 0
TIP3 OH2 0
TIP3 H1 0
TIP3 H2 0
TIP3 OH2 1
TIP3 H1 1
TIP3 H2 1
TIP3 OH2 2
TIP3 H1 2
TIP3 H2 2
TIP3 OH2 3
TIP3 H1 3
TIP3 H2 3
CGEND
###########