[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.

thanks


Sadhna Joshi
Research Scholar
Dept of Chemical Engg
Indian Institute of Technology,Powai
Mumbai-400076
India




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