[gmx-users] pull code problem

[Andrei Neamtu]

hello,

I am trying to do a pulling simulation with gromacs 4.0.2

I added the following lines to the  .mdp input file for grompp:

...

pull                   =  constraint
pull_geometry          =  distance
pull_dim               =  Y Y Y
pull_nstxout           =  10
pull_nstfout           =  10
pull_ngroups           =  2
pull_group0            =  Protein

pull_group1            =  CA2+1
pull_rate1             =  0.3

pull_group2            =  CA2+2
pull_rate2             =  0.3

.....

when I run
> grompp -f production_prm.mdp .......etc.

it does not recognize the keywords for pulling:

Ignoring obsolete mdp entry 'title'

Back Off! I just backed up neutr_RCK_Mthk_solv.04.mdout.mdp to
./#neutr_RCK_Mthk_solv.04.mdout.mdp.6#

WARNING 1 [file production_prm.mdp, line unknown]:
  Unknown or double left-hand 'pull_geometry' in parameter file

WARNING 2 [file production_prm.mdp, line unknown]:
  Unknown or double left-hand 'pull_dim' in parameter file

WARNING 3 [file production_prm.mdp, line unknown]:
  Unknown or double left-hand 'pull_nstxout' in parameter file

WARNING 4 [file production_prm.mdp, line unknown]:
  Unknown or double left-hand 'pull_nstfout' in parameter file

WARNING 5 [file production_prm.mdp, line unknown]:
  Unknown or double left-hand 'pull_ngroups' in parameter file

WARNING 6 [file production_prm.mdp, line unknown]:
  Unknown or double left-hand 'pull_group0' in parameter file

WARNING 7 [file production_prm.mdp, line unknown]:
  Unknown or double left-hand 'pull_group1' in parameter file

WARNING 8 [file production_prm.mdp, line unknown]:
  Unknown or double left-hand 'pull_rate1' in parameter file

WARNING 9 [file production_prm.mdp, line unknown]:
  Unknown or double left-hand 'pull_group2' in parameter file

WARNING 10 [file production_prm.mdp, line unknown]:
  Unknown or double left-hand 'pull_rate2' in parameter file

.......

It appears that grompp doesnot recognize any of these keywords...

Does anybody can help?

Thank you
Andrei