VMD-L Mailing List
From: Edward Lyman (edward.lyman_at_gmail.com)
Date: Mon Feb 25 2013 - 08:37:12 CST
- Next message: John Stone: "Re: setting up the grid for periodic coulomb volmap calc"
- Previous message: Khanal Rabi: "gofr with periodic boundary condition in vasp trajectory"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]
Hi all,
I have a membrane system that was prepared in the "old style", with
headgroups patched to aliphatic chains. (CHARMM27). I'd like to convert it
into CHARMM36 (ie, keep the same coordinates for the atoms), probably with
the psfgen tools...but I can't see how to do it without a lot of atom name
aliasing. If anyone has a simpler, less tedious solution, I would be very
grateful.
Best,
Ed
- Next message: John Stone: "Re: setting up the grid for periodic coulomb volmap calc"
- Previous message: Khanal Rabi: "gofr with periodic boundary condition in vasp trajectory"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]