[gmx-users] Re: Double X Simple precision

markabraham Mark.Abraham at anu.edu.au
Tue Jul 31 22:48:50 CEST 2012

marcelodepolo wrote
> I'm running Gromacs in double precision to minimize my system until 10^-4
> kcal/mol.nm 'cause it's too much unstable. Unfortunately, my system is
> huge and double precision make the simulation slower.
> My question is: can I run minimization process in double precision and
> simulation itself in simple??

Yes. This may not help your problem. See


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