[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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