Dear fellow gromacs users,
I notice that the default value for emtol has changed from 100.0 kJ/mol/nm
gromacs 3.2 and earlier, to 10.0 kJ/mol/nm. Can someone explain why? I did
search through the revision history, and bug reports, but found nothing.
I understood the energy minimisation was 'good enough' when it ran
successfully for emtol = 100. Is it now recommended that we go down to
emtol = 10?
Sincerely, Jennifer
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Jennifer Rendell 709-737-6733
Department of Biochemistry
Memorial University of Newfoundland
St. John's, Newfoundland
CANADA A1B 3X9
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