[gmx-users] wheel!

Nuno R. L. Ferreira nunolf at ci.uc.pt
Mon Feb 16 16:02:01 CET 2004


Hi Ankur

Read pg. 244 gmx 3.1 manual

Your input data file will be something like this (eg for a peptide with 4
aa):

4
ALA
TRP
MET
TYR

Kind regards
Nuno

######################################
Nuno Ricardo Santos Loureiro da Silva Ferreira
Departamento de Química
Faculdade de Ciências e Tecnologia
Universidade de Coimbra
3004-535 Coimbra - Portugal
Fax: +351 239 827703  - www.biolchem.qui.uc.pt
########################################
----- Original Message ----- 
From: "ankur gupta" <ankurgup at iitk.ac.in>
To: <gmx_users at gromacs.org>
Cc: <gmx-users at gromacs.org>
Sent: Monday, February 16, 2004 2:30 PM
Subject: [gmx-users] wheel!


> Dear Gromacs Users,
> I want to have helical wheel projection of my peptide to see whether a
> peptide is amphipatic or not. But while running the commnand it is asking
> for the input file in .dat format, but I dont know how to make this .dat
> file, so I am requesting you to please help me out.
>
> Sincerely
> Ankur Gupta
>
>
>
>
> "You are making progress if each mistake You make is a new one"
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