Re: [gmx-users] Hildebrand's solubility parameter

Von: David van der Spoel <[EMAIL PROTECTED]> Betreff: Re: [gmx-users] Hildebrand's solubility parameter An: "Discussion list for GROMACS users" Datum: Dienstag, 2. Dezember 2008, 16:48 Claus Valka wrote: > Hello, > > could you tell me if it is possible with gromacs to

Re: [gmx-users] Hildebrand's solubility parameter

Claus Valka wrote: Hello, could you tell me if it is possible with gromacs to calculate the Hildebrand's solubility parameter? Yes, but you have to derive the components in the equation yourself using g_energy. http://cool-palimpsest.stanford.edu/byauth/burke/solpar/solpar2.html Thank yo

[gmx-users] Hildebrand's solubility parameter

Hello, could you tell me if it is possible with gromacs to calculate the Hildebrand's solubility parameter?  Thank you, Nikos ___ gmx-users mailing listgmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Ple