[gmx-users] Amber&Buckingham

Ali Alizadeh ali.alizadehmojarad at gmail.com
Sun Apr 21 19:53:01 CEST 2013

Dear All users

I want to use amber ff and there are some particles(mineral and
organic) in my system that

non bonded interaction between them is buckingham,

Is it possible to simulate this system in gromacs?

There are some alkane molecules such as decane but I did many search
and studied all of the

paper that are were related to amber but I could not find the partial
charge of atoms in amber

force field and for decane,

How can I find the partial charge of atoms in decane?


Ali Alizadeh

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