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

Tanping Li jia_11_osu at yahoo.com
Wed Jul 13 23:57:19 CEST 2005

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
I have struggled for several days and hope your reply.
Thank you very much.


More information about the gromacs.org_gmx-users mailing list