[gmx-users] lambda dependence of nonbonded parameters

Paolo Cerri Paolo.Cerri at mi.infn.it
Thu Jan 25 12:38:19 CET 2007

Dear all

can anybody tell me what happens to lennard jones parameters and coulomb
charges varying the lambda parameter?

I know from the manual how the interaction is rescaled but what i'm
concerned in is now how C6 C12 and charge vary with lambda. 
What happens then to the interaction between two atoms when only one 
has B parameters specified in the topology file? is it rescaled the same
way it is when both atoms has lambda dependent parameters?



More information about the gromacs.org_gmx-users mailing list