> How do I get a *.gro file in double-precision, then? The > configurations given by the PRODRG server are in 0.000 format, and > still I've at least once managed to get double-precision calculations > out of them (right now I'm working on a file for a Pentane molecule, > originally downloaded from PRODRG, but everything's in > double-precision). I have to be doing something wrong, if I get > single-precision some of the time and double-precision other times... How many significant digits do you have in the .gro file produced after energy minimisation?
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