On 10/11/12 7:27 AM, Shima Arasteh wrote:
This is a sample of energy minimization, solvation and ion neutralization in my
own system ( protein in POPC):
Steepest Descents converged to Fmax < 100 in 18240 steps
Potential Energy = -1.0357691e+06
Maximum force = 8.0741402e+01 on atom 4716
Norm of force = 3.1694601e+00
I think it seems sensible, however I am not sure.
Perfectly reasonable. You achieved an Fmax below the desired value and its
magnitude makes sense given the size of the system.
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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