[gmx-users] Energy minimization has stopped....

[Kalyanashis Jana]

Hi,
  Whenever I am trying to do position retrained MD run, It has been stopped
at middle of the MD run. I have given the following error. Can you please
suggest me something to resolve this error?
Energy minimization has stopped, but the forces havenot converged to the
requested precision Fmax < 100 (whichmay not be possible for your system).
It
stoppedbecause the algorithm tried to make a new step whose sizewas too
small, or there was no change in the energy sincelast step. Either way, we
regard the minimization asconverged to within the available machine
precision,given your starting configuration and EM parameters.

Double precision normally gives you higher accuracy, butthis is often not
needed for preparing to run moleculardynamics.

writing lowest energy coordinates.

Steepest Descents converged to machine precision in 20514 steps,
but did not reach the requested Fmax < 100.
Potential Energy  = -9.9811250e+06
Maximum force     =  6.1228135e+03 on atom 15461
Norm of force     =  1.4393512e+01

gcq#322: "The Feeling of Power was Intoxicating, Magic" (Frida Hyvonen)

-- 
Kalyanashis Jana
email: kalyan.chem.in at gmail.com