[gmx-users] error:g_hbond

[swatik at ncbs.res.in]

Dear All,

I am running 20ns simulation of drug-enzyme complex using Gromacs software
with GROMOS96 43a1 force field. After successful run when I am using
g_hbond for the Hydrogen bond analysis I am getting following error.

------------------------------------------------------------------------
Checking for overlap in atoms between Protein and ZPR
Calculating hydrogen bonds between Protein (7456 atoms) and ZPR (30 atoms)
Found 1037 donors and 2081 acceptors
Reading frame       0 time    0.000
Will do grid-seach on 25x25x25 grid, rcut=0.35
Reading frame   15000 time 15000.001  
-------------------------------------------------------
Program g_hbond_mpi, VERSION 3.3.1
Source code file: gmx_hbond.c, line: 699

Range checking error:
Variable gx has value -23. It should have been within [ 0 .. 25 ]
Please report this to the mailing list (gmx-users at gromacs.org)
-------------------------------------------------------------------------

Can anybody suggest how to solve this error.
Thanks,

Regards,



-- 
Swati kaushik
Research Scholar
Prof. R. Sowdhamini's lab
National Center for Biological Sciences
Tata Institute of Fundamental Research
UAS-GKVK campus
Bellary road,
Bangalore- 560065
India
Phone:
 Lab: 0(91)80- 23 66 62 51
      0(91)80- 67 17 62 51
 Fax: 0(91) 80 23 63 66 62
 Email:  swatik at ncbs.res.in
         swati.kaushik15 at gmail.com