Chih-Ying Lin wrote:
Hi
Does Gromacs support D2O simulation?
Is it any difference between the D2O and H2O except the molecular weight?
and, how about the force field parameters?
are the two systems just the same?
If you have a flexible model you would have to change the force
constants, for a rigid model it is the same except for the masses.
There is also
pdb2gmx -deuterate (for proteins...)
Thank you
Lin
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