SMD output

From: Dmitry Lupyan (dmitry.lupyan_at_mssm.edu)
Date: Thu Jan 15 2009 - 16:50:08 CST

Hello namd-l,

When i set "SMDOutputFreq 10" the output gives me this:

SMD 10 5.72176 -3.38898 -0.00505686 -0 -0 -29.0444
SMD 20 5.72647 -3.39013 -0.0134716 -0 -0 -23.1006
SMD 30 5.70791 -3.44771 -0.0340012 -0 -0 -8.73964
SMD 40 5.68444 -3.47025 -0.0349437 -0 -0 -7.98754
SMD 50 5.6734 -3.48958 -0.0478025 0 0 1.04392
SMD 60 5.67285 -3.52725 -0.010169 -0 -0 -25.0062
SMD 70 5.68524 -3.517 0.0260181 -0 -0 -50.0513
SMD 80 5.67241 -3.53038 0.0340123 -0 -0 -55.5083
SMD 90 5.68427 -3.55666 0.0417895 -0 -0 -60.8146
SMD 100 5.70028 -3.52214 0.0322488 -0 -0 -54.0885

the force in this output is the instantaneous force at step
10,20,30,etc... or the average of the 10 steps?

thanks
-dima

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