VMD-L Mailing List

From: Bruno Luís Pinto de Oliveira (boliveira_at_itn.pt)
Date: Wed Oct 19 2011 - 09:04:06 CDT

Dear all,

Recently I published a post asking how to visualize an alchemical transformation but no one answered me.

Probably is a basic question, however I still do not know how to visualize it.

I searched in the VMD mailing list and in the manual and I didn´t find any information about this subject.

In my particular case I have a compound that is a organic molecule coordenated to a metal core (Re(CO)3). In the FEP simulation I am vanishing the metal core. The calculated results are in good agreement with the experimental.

What I would like to know now is if it is possible to visualize with VMD the Re(CO)3 metal core disapearing???

Is it possible???

I have made myself clear?

Tks in advance

Bruno
.....................................................................................................................................................
Bruno L. Oliveira
Radiopharmaceutical Sciences Group
Chemistry Department , ITN
http://www.itn.pt/sec/qui/qir/uk_qir_index.htm
http://www.boliveira.com