[gmx-developers] (no subject)
David
spoel at xray.bmc.uu.se
Sat Mar 20 13:15:55 CET 2004
On Sat, 2004-03-20 at 13:55, lpgomes at fiocruz.br wrote:
> Dear Sirs,
>
> I intend to implement one routine on GROMACS. It will work just
> like md. So, I would like some guide lines to make
> modifications on GROMACS code.
> This routine it is like Monte-Carlo, so it change conformation
> changing it and after I want GROMACS perform one step of cg.
just modify the cg routine.
(minimize.c)
> Thanks in advance,
> Luciano P Gomes
> Brasilia University, Brazil
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--
David.
________________________________________________________________________
David van der Spoel, PhD, Assist. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
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