[gmx-users] REMD: when it exchange the replica, it will be bombed!!

[杜波]

dear teachear,
i do remd in NPT,
when it exchange the replica, it will be bombed!!

step 4000000, will finish Wed Nov 23 23:21:34 2011
Warning: 1-4 interaction between 1384 and 1396 at distance 140.157 which is
larger than the 1-4 table size 20.895 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
or with user tables increase the table size

-------------------------------------------------------
Program mdrun_mpi_4.5.5, VERSION 4.5.5
Source code file: nsgrid.c, line: 549

Range checking error:
Explanation: During neighborsearching, we assign each particle to a grid
based on its coordinates. If your system contains collisions or parameter
errors that give particles very high velocities you might end up with some
coordinates being +-Infinity or NaN (not-a-number). Obviously, we cannot
put these on a grid, so this is usually where we detect those errors.
Make sure your system is properly energy-minimized and that the potential
energy seems reasonable before trying again.
Variable ci has value 175. It should have been within [ 0 .. 168 ]

For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors

thanks!!!
regards,
Bo Du
Department of Polymer Science and Engineering,
School of Chemical Engineering and technology,
Tianjin University, Weijin Road 92, Nankai District 300072,
Tianjin City P. R. China
Tel/Fax: +86-22-27404303
E-mail: 2008dubo at gmail.com
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