[gmx-users] How to get the c12 in LJ?

[Tanping Li]

Hellow, everyone,


I am calculating the LJ interaction between protein
residue and some close waters. I noticed that
c12(i,j)=sqrt(c12(i,i)*c12(j,j)) is not always true in
some situations, which is also mentioned in previous
messages. So where can I get the c12 that gromacs
uses?
I have struggled for several days and hope your reply.
Thank you very much.


Best
Tanping