Re: [gmx-users] where do Zinc parameters come from ?

2016-12-19 Thread Justin Lemkul
On 12/19/16 6:04 AM, CROUZY Serge 119222 wrote: Hello users Can anyone tell me where the LJ parameters for Zn2+ come from in the Gromacs gromos54a7.ff force field ? (Literature reference for instance) ;name at.num mass charge ptype c6 c12 ZN2+ 30 0.000

[gmx-users] where do Zinc parameters come from ?

2016-12-19 Thread CROUZY Serge 119222
Hello users Can anyone tell me where the LJ parameters for Zn2+ come from in the Gromacs gromos54a7.ff force field ? (Literature reference for instance) ;name at.num mass charge ptype c6 c12 ZN2+ 30 0.000 0.000 A 0.0004182025 9.4400656e-09 I'm