[gmx-users] problem using makehole grompp

Mark Abraham Mark.Abraham at anu.edu.au
Tue Nov 20 14:38:47 CET 2007

nur avneet 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.

Giving us specific information here will make us able to help you.

> Please help. Is it that  I am using the normal grompp command and not 
> the one for makehole??

Maybe. We can't tell yet.

> When i make a separate copy of gromacs and then install the makehole 
> package, do its commands add on to the existing gromacs folder?

Surely the makehole documentation covers this, but I've never read it. 
If not, you're still going to have to describe this better for us to 
help you.


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