[gmx-users] itp problem

[Albert]

Hello:

  I am trying to restrain part  of my protein. First I generate a index 
file by make_ndx. Then I use genrest for this purpose like:

genres -f npt.gro -o helix -n -fc 400

after that I change the following in the topol.top file, like:


; Include Position restraint file
#ifdef POSRES
#include "helix.itp"
#endif

when I run grompp, it claimed following warnings:

WARNING 1 [file helix.itp, line 1]:
   Too few parameters on line (source file
   /home/albert/install/source/gromacs-4.6.3/src/kernel/toppush.c, line 
1756)

here is my helix.itp:
; position restraints for System of

[ position_restraints ]
;  i funct       fcx        fcy        fcz
    5    1        400        400        400
   24    1        400        400        400
   41    1        400        400        400
   48    1        400        400        400
   59    1        400        400        400
   70    1        400        400        400
   86    1        400        400        400
  107    1        400        400        400
  126    1        400        400        400
  140    1        400        400        400
  156    1        400        400        400
  171    1        400        400        400
  190    1        400        400        400
  200    1        400        400        400
  219    1        400        400        400
  229    1        400        400        400
  245    1        400        400        400
  264    1        400        400        400
  274    1        400        400        400


thank you very much.
Albert