[gmx-users] gmx rdf

[Dhrubajyoti Maji]

Dear gromacs users,
     I have simulated a system of liquid acetamide in gromacs-2018.3 using
opls ff. I have calculated g(r) with gmx rdf. While O-O and com-com rdf are
similar as reported but N-O and O-H rdf are way different . I have tried
both aa and ua models but this problem persists. Other properties like
density,dipole moment, dielectric constant, diffusion coefficient matches
very well. Any suggestion will be highly appreciated.
Thanks and regards.
Dhrubajyoti Maji