Hi All!
i have been getting this messsage in my log file.
Started mdrun on node 0 Tue Apr 13 14:28:28 2010
Step Time Lambda
0 0.00000 0.00000
Energies (kJ/mol)
Angle G96Angle Proper Dih. Improper Dih. LJ-14
3.63316e+04 2.60311e+03 2.05878e+03 8.63051e+02 -4.53144e+01
Coulomb-14 LJ (SR) LJ (LR) Coulomb (SR) Coul. recip.
5.46208e+04 2.42763e+05 -4.16328e+03 -1.65989e+06 -2.39317e+05
Potential Kinetic En. Total Energy Temperature Pressure (bar)
-1.56418e+06 2.63757e+05 -1.30042e+06 3.00341e+02 -4.19843e+03
Cons. rmsd ()
9.18296e-06
DD step 9 load imb.: force 1.3%
DD step 99999 load imb.: force 2.1%
Step Time Lambda
100000 200.00002 0.00000
IT IS SOME THING TO DO WITH IMBALANCE. and the force increases with time!
I have a few questions based on this above report in my log file
1. Is this some serious problem?
2. Can I ignore this and proceed or do some thing to rectify the problem, if
so please tell me what?
I am using gromacs 4.0.5 and using 4 nodes, Any help would be appreciated.
Thank you
Jayant James
--
Jayasundar Jayant James
www.chick.com/reading/tracts/0096/0096_01.asp)
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