[gmx-users] strange cumulative number using g_rdf

Andre Farias de Moura andre at qt.dq.ufscar.br
Wed Aug 24 16:59:34 CEST 2005


Hi Berk,

On Wed, 24 Aug 2005, Berk Hess wrote:

> This looks like an overflow problem.
>
> Could change the line:
>   unsigned long int *sum;
> in src/tool/gmx_rdf.c to:
>   long long *sum;
> recompile and try again?

it's working fine now, thank you.

Andre'

/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/

    Dr. Andre' Farias de Moura

/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/

  Laboratorio de Quimica Teorica
Universidade Federal de Sao Carlos
     Sao Carlos - SP - Brasil

/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/

        Endereco Atual

    Grupo de Quimica Quantica
Instituto de Quimica de Sao Carlos
    Universidade de Sao Paulo
    Sao Carlos - SP - Brasil
    Telefone: 55-16-3373-8055

/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/

>
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
>




More information about the gromacs.org_gmx-users mailing list