Re: [gmx-users] Implementing GoIP parameters in OPLSAA

2016-04-05 Thread Justin Lemkul
On 4/5/16 9:14 AM, ingram wrote: Dear GROMACS gremlins, I am trying in vain to implement the GoIP parameters for a gold-peptide interface in the OPLSAA ff. To begin with I am just trying to get the paramteres working for only a 3x3 Au slab. My .pdb file looks like this: OMPNDNew structure

[gmx-users] Implementing GoIP parameters in OPLSAA

2016-04-05 Thread ingram
Dear GROMACS gremlins, I am trying in vain to implement the GoIP parameters for a gold-peptide interface in the OPLSAA ff. To begin with I am just trying to get the paramteres working for only a 3x3 Au slab. My .pdb file looks like this: OMPNDNew structure COMPND 1Created by VESTA