[gmx-users] Lennard Jones parameters for Sp, Sp2 and Sp3 nitrogen identical?

Vitaly V. Chaban vvchaban at gmail.com
Fri Oct 23 20:45:19 CEST 2015

Likely because the LJ constants of N are less important to reproduce the
correct structures of organic molecules and their phases. Also, there are
probably not so many strong coordination patterns involving N, which are
practically important.

On Thu, Oct 22, 2015 at 1:04 PM, Ebert Maximilian <m.ebert at umontreal.ca>

> Dear list,
> I already asked the question in the AMBER list but couldn’t get an answer.
> So I try my luck here even though it is a bit off topic in the GROMACS
> list. I was wondering why the different atom types of H, C and O have
> different LJ-parameter but for all the different types of N we see the
> identical parameters in OPLS, AMBER and CHARMM?
> Thank you very much,
> Max
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