Hi gromacs experts,
I used gromacs 4.5.3. my system has only spce water, no other types.
In .mdp file,
I used the following parameters;
define =
constraints = none
constraint-algorithm = Lincs
Can u tell me Is it flexible water or all the bond, angle fixed using the
above setting?
what is the equations of potential energy in Gromacs 4.5 using OPLSAA?
Best regards
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