[gmx-users] regarding em potential energy positive
priya.thiyagarajan09 at gmail.com
Wed Mar 21 13:19:09 CET 2012
Thanks for your kind reply..
after energy minimisation i got this
Steepest Descents converged to Fmax < 1000 in 572 steps
*Potential Energy = -4.0509822e+05*
Maximum force = 9.1364709e+02 on atom 1747
Norm of force = 3.4970905e+01
when i go for energy plot my graph looked like this
so according to that potential energy value i can say that my em is
am i correct sir..
whether my plot is correct..
my curve going near zero and slight downwards..
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