[gmx-users] system blowing

[Ramachandran G]

Dear all,
      I am trying to minimize a protein structure but i noticed initially
before it starts minimization, it gives warning
-------------------------------------
Warning: 1-4 interaction between 1434 and 1490 at distance 1.783 which is
larger than the 1-4 table size 1.000 nm
These are ignored for the rest of the simulation
This usually means your system is exploding,
if not, you should increase table-extension in your mdp file
Using 10 BFGS correction steps.

   F-max             =  7.89523e+03 on atom 1185
   F-Norm            =  4.87025e+04
 ------------------------------
finally it converged to machine precision but not to the requested precision
Fmax < 1000. When i view final structure, it
looks the residues are sprayed out. The mdp file which i used for
minimization is
------------------------------------------------------------------------------------
Title               =   protien test
cpp                 =  /lib/cpp
;include             =  -I../top
define              = -DFLEXIBLE
constraints         = none
integrator          =  steep
nstcomm             =  1
dt                  =  0.002    ; ps !
nsteps              =  50000
nstlist             =  10
ns_type             =  grid
rlist               =  1.4
coulombtype         =  shift
rcoulomb            =  1.2
vdwtype             =  shift
rvdw                =  1.2
;
;       Energy minimizing stuff
;
emtol               =  1000.0
emstep              =  0.01

------------------------------------------------------------


This protein structure has been minimized using Charmm but in gromacs i am
having problem. Can anyone help me. Thank you.
Rama
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