Pair list generation problem in GROMOS96



Dear CCL
 I'm trying to run a regular MD simulation in GROMOS96. My system is 107 aa
 protein in a box of SPC water with 4 NA+ ions added. PBC are applied, and
 the box sizes are ~ 4*5*6 nm. Bonds involving hydrogens are shaken. In an
 output i'm getting following warnings:
  NONBML: WARNING, NOT ALL EXCLUDED NEIGHBOUR WERE SCANNED IN THE PAIR-LIST
  NONBML: WARNING, NOT ALL THIRD NEIGHBOUR WERE SCANNED IN THE PAIR-LIST
 Kinetic and non-bonded potental energy terms are not being calculated
 ("nan" instead of a value) in an initial (t=0) step. In next steps
 pair
 list contains 0 elements instead of ~300000, as it is in initial step.
 According to manual this warning occures when cut-off for pair list
 construction (RCUTP) is not reasonably large. In my case it has 1.0 nm
 (acctually twin rang cut-off 1.0/1.6 is used). I tried to run the same
 simulation with pair list construction cut-off 1.2 and 1.6 nm, but the
 same warning occures.
 Has anybody experienced similar problem? Any help will be appreciated.
 Mateusz Nowak
 Jagiellonian Univ.
 Krakow
 POLAND