[gmx-users] restarting MD simulation

[Diego Enry]

Detailed info on gmx wiki
http://wiki.gromacs.org/index.php/Doing_Restarts


On Fri, Mar 28, 2008 at 1:18 PM, David van der Spoel
<spoel at xray.bmc.uu.se> wrote:
> serdar durdagi wrote:
>  > Dear all,
>  >
>  > I would like to restart a mdrun simulation, which crashed after
>  > a computer shut-down.
>  >
>  > (As structure file, I have only the initial "*.gro" file).
>  >
>  > How can I do this?
>  >
>  tpbconv
>  > Kind Regards,
>  >
>  > Serdar Durdagi
>  >
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>  --
>  David.
>  ________________________________________________________________________
>  David van der Spoel, PhD, Assoc. 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://folding.bmc.uu.se
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-- 
Diego Enry B. Gomes
Laboratório de Modelagem e Dinamica Molecular
Universidade Federal do Rio de Janeiro - Brasil.