Hi How about the tip4p.gro ? Should I modify it? If so, how to modify it?
Thank you Lin > Hi > Is there TIP4P-Ew in the Gromacs 3.3.3 available? > > In the top file, there is only tip4p.top and tip4p.gro. > > Are they the same as TIP4P-Ew model? TIP4P-Ew is parameterization of TIP4P for treatment of electrostatics with Ewald summation. Should not be difficult to get the original paper and adapt the tip4p.top to a tip4p-ew.top. XAvier > Thank you > Lin
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