Date: Tue Jun 15 2010 - 05:08:55 CDT
The top_all27_prot_lipid_na.inp file that comes with the NAMD
distribution already has a patch for that, the CYSD. Pay attention to
the comment there that says "The charges are invented!!!"
Quoting Leonardo Herrera <ldhz04_at_yahoo.com.mx>
> Hi all
> I need run with cys unprotonated, can sombody helme with this?
> or Can somebody give me information about can I run with unprotonated cys?
> thanks in avance.
-- Elsa S. Henriques e-mail: ehenriques_at_qui.uc.pt Investigadora Auxiliar Biologia Estrutural e Computacional (@CNC) e Grupo de Química Estrutural (@CCC) Cv15 - RMB Lab Departamento de Química - Universidade de Coimbra 3004-535 COIMBRA Portugal Tel.: +351 23 9852080 - ext.417 Fax : +351 23 9827703
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