[gmx-users] mix berger ff with opls
zhngbn at gmail.com
Sat Mar 13 01:41:16 CET 2010
I was trying to convert the lipid.itp downloaded from Tieleman's
website to the format compatible with OPLS. I basically followed the
procedure in this post, which is really helpful:
But there is one comment there I don't understand:
after changing c6/c12
to sigma/epsilon. (gives effective fudgeLJ of 0.125).
Can someone please explain what this means? Why do I have this
Thanks a lot,Bin
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