Monika wrote:
Dear All,
I wish to know that at what temperature range the Gromacs OPLS-AA
parameters are valid? I couldn't find any such information. If anyone
has some idea regarding the lower and upper limit of temperature range
within which the calculations can be done. Since I think that parameters
are temperature dependent, so till what temperature will the usage be
fine for the default parameters with OPLS force field.
Thanking you in advance,
Regards,
Monika.
Hard to tell, you typically get this kind of question from referees. It
is probably good to test some simple systems. People use it below
freezing and above boiling temperature.
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