[gmx-users] Temperature range for Gromacs (OPLS)

Monika mon_sharma at research.iiit.ac.in
Mon Dec 17 11:13:42 CET 2007


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.






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