Re: psf of insulin

From: ehenriques_at_qui.uc.pt
Date: Thu Nov 18 2010 - 05:08:19 CST

Hi Sara,

Why do you want to use the "top_all22_model.inp" file at all? As far
as I know it contains a number of small model compounds (e.g.,
acetate, methylamine, etc.) used to parametrize the force field and it
is not going to work for insulin.
The regular top_all27_prot_lipid_na.inp works perfectly with insulin
[well, the zing atom(s) might need renaming but that's about it].

As for the error you get, the information you provide is not enough
for me to 'guess' where it might come from.

Elsa

As far as I know, the top_all22_model.inp

Quoting sara <sara_15_s_at_yahoo.com>:

> Hi Dear All
>
> I have pdb file of insulin and want to make its psf file. I am
> making the psf file for proteins by automatic psf builder and with
> top_all22_prot.inp always. but for insulin it doesn't work and give
> error : " bad index"":must be integer?[+-]integer? or
> end?[+-]integer?"
> if anyone has the "top_all22_model.inp" file please send for me
> please guide me
>
> thank you for your attention
>
> Sara
> PhD Student
>
>
>
>

-- 
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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