[gmx-users] em step

sadhna sadhana at che.iitb.ac.in
Wed Feb 12 17:50:14 CET 2003

hi all,
       while doing vacuum energy minimisation with em step=0.01nm
I get the following:

Stepsize too small (9.91837e-07 nm)Converged to machine precision,
but not to the requested precision (100)

Could any one suggest  solution to this.


Sadhna Joshi
Research Scholar
Dept of Chemical Engg
Indian Institute of Technology,Powai

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