[gmx-developers] conversion from internal to cartesion

Rodrigo Faccioli rodrigo_faccioli at uol.com.br
Wed Mar 7 16:50:39 CET 2012


I have implemented a convertion from internal coordinates to cartesian
coordinates in C code.

In fact, I've implemented the SN-Nerf algorithm from

What kind of comparison do you want to do?We can talk about it.

Best regards,

Rodrigo Antonio Faccioli
Ph.D Student in Electrical Engineering
University of Sao Paulo - USP
Engineering School of Sao Carlos - EESC
Department of Electrical Engineering - SEL
Intelligent System in Structure Bioinformatics
Phone: 55 (16) 3373-9366 Ext 229
Curriculum Lattes - http://lattes.cnpq.br/1025157978990218
Public Profile - http://br.linkedin.com/pub/rodrigo-faccioli/7/589/a5

On Wed, Mar 7, 2012 at 10:39 AM, JMandumpal <jesbman at rediffmail.com> wrote:

> Dear GROMACS users,
> I would like to compare my fortran code for conversion of internal
> coordinates to Cartesian coordinates ( for building protein chain) . I
> wonder If any one can help me in this regard by providing the link of C or
> Fortran code.
> regards
> Jestin B. Mandumpal Ph.D (WABRI), MRSC
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