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