[gmx-users] regarding em potential energy positive

priya thiyagarajan priya.thiyagarajan09 at gmail.com
Wed Mar 21 13:19:09 CET 2012

hello sir,

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..

thanking you,
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