pandegroup / tip3p-tip4p-fb Goto Github PK
View Code? Open in Web Editor NEWFiles for running MD simulations with TIP3P-FB and TIP4P-FB water models.
License: MIT License
Files for running MD simulations with TIP3P-FB and TIP4P-FB water models.
License: MIT License
Hi,
I am comparing the gromacs and openMM force field value for tip3p-fb.
The sigma for Hydrogen is 0 in gromacs force field parameters (upper attached file) where as
the sigma for Hydrogen is 1 in OpenMM force field parameters (lower attached file 2 ).
Am I wrong in understanding or missing something ?
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