VMD-L Mailing List
From: Leandro Barros da Silva (leandrobdasilva_at_ufsm.br)
Date: Wed Oct 05 2011 - 13:00:27 CDT
- Next message: Thomas Bishop: "Re: GPU choice for large systems"
- Previous message: Vlad Cojocaru: "VMD fails to start/stalls/crashes on AMD workstation with Quadro FX 3800"
- Next in thread: Jérôme Hénin: "Re: Solvating hexagonal unit cell"
- Reply: Jérôme Hénin: "Re: Solvating hexagonal unit cell"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]
Hi users,
I'm interested in study a system with PBC using an hexagonal cell. I'm
trying to use VMD solvate script to add water molecules to the cell, but
this only generates (as far as I know) cubic/parallelepipidic cell. Any
hints on how to solvate (and generate the corresponding NAMD topoplogies)
cells with shapes other than cubic?
Best wishes and thanks in advance!
Leandro B da Silva
- Next message: Thomas Bishop: "Re: GPU choice for large systems"
- Previous message: Vlad Cojocaru: "VMD fails to start/stalls/crashes on AMD workstation with Quadro FX 3800"
- Next in thread: Jérôme Hénin: "Re: Solvating hexagonal unit cell"
- Reply: Jérôme Hénin: "Re: Solvating hexagonal unit cell"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]