Finding nonbonded parameters...

Aaron Oakley s_aarono at EDUSERV.ITS.UNIMELB.EDU.AU
Mon Mar 25 21:40:43 EST 1996


> Does anybody out there have nonbonded parameters for Ca++? It's not included
> in TOPPAR/param19.ion. Any response from you would be appreciated. 

 !                  eps     sigma       eps(1:4) sigma(1:4)
 !                  (kcal/mol) (A)
 !                  ---------------------------------------
 NONBonded  CA         .0600 3.107       .0600 3.107

check out http://xplor.csb.yale.edu/tutorial/toppar/parameter.elements





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