Date: Wed May 26 2010 - 03:53:39 CDT
Have a look at
.. and you could use residues such as IMD or IME (look in the
top_all27_prot_lipid_na.inp file) as templates.
Hope it helps,
> I have a problem and I need someone's help. First of all, I will
> tell you which
> is my purpose. I try to create the parameter file of a small
> molecule in order
> to run molecular dynamic simulations. Specifically, I have a ring
> with 5C that
> has a bending in one side and I want to make flat this ring.I don't know how.
> How I can find which parameters are the correct ones?
> I would appreciate any advice.
> Thank you in advance.
-- Elsa S. Henriques e-mail: ehenriques_at_qui.uc.pt Investigadora Auxiliar Biologia Estrutural e Computacional (@CNC) e Grupo de QuÃmica Estrutural (@CCC) Cv15 - RMB Lab Departamento de QuÃmica - Universidade de Coimbra 3004-535 COIMBRA Portugal Tel.: +351 23 9852080 - ext.417 Fax : +351 23 9827703
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