[gmx-users] problem using makehole grompp
nur avneet
nuravneet at yahoo.co.in
Tue Nov 20 12:49:05 CET 2007
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?
regards
nur
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