Re: Help with cys unprotonated

Date: Tue Jun 15 2010 - 05:08:55 CDT

Hi Leonardo,

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 <>

> 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:
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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