[gmx-users] Gromacs precision and the precision of values set in the mdp file

Eric Smoll ericsmoll at gmail.com
Wed Jan 14 00:39:34 CET 2015


Hello Gromacs users,

What is the precision limit for values entered in an mdp file for a single
precision gromacs simulation? Does this increase when using gromacs is
compiled in double precision?

Best,
Eric


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