[gmx-users] problem using makehole grompp

Xavier Periole X.Periole at rug.nl
Tue Nov 20 13:55:15 CET 2007

On Tue, 20 Nov 2007 11:49:05 +0000 (GMT)
  nur avneet <nuravneet at yahoo.co.in> wrote:
> Sir
>  I installed the makehole program as given in instructions, by making a 
>separate copy of gromacs and then added the makehole tar file to it. Then 
>followed the normal steps for installation.
>  But when i set the mdp file as given in tutorial and try to give the grompp 
>command, it does not identify the various parameters of  the mdp file.
>  Please help. Is it that  I am using the normal grompp command and not the 
>one for makehole??
>  When i make a separate copy of gromacs and then install the makehole 
>package, do its commands add on to the existing gromacs folder?

Did you source on the new version including makehole?

>  regards
>  nur
> ---------------------------------
> Bollywood, fun, friendship, sports and more. You name it,  we have it.

XAvier Periole - PhD

1- Institute of Molecular Assemblies
      City University of New York - USA
2- Molecular Dynamics-Group
      University of Groningen - The Netherlands

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