VMD-L Mailing List

From: Karteek Kumar (karthik3327_at_gmail.com)
Date: Wed Dec 07 2016 - 01:23:53 CST

Hello VMD users,

I am trying to write a script which converts AA water trajectory to CG
trajectory.
Grouping few water molecules and defining the bead location as the COM of
the group.

I have written it partially and got stuck. I am planning to find the two
nearest water molecules to locate the bead position. Now, Can I delete them
from the frame and redefine the residue numbers?

In brief: Can we delete residue arbitrarily and redefine the residue number
for the remaining residues.

Thanks in advance and really looking forward to the help.

Thanks,
Karteek