[gmx-users] problem using makehole grompp
Mark.Abraham at anu.edu.au
Tue Nov 20 14:38:47 CET 2007
nur avneet wrote:
> 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
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
More information about the gromacs.org_gmx-users