subject:"\[gmx\-users\] Mn\/Mn2\+ Parameters included in Amberff"

Re: [gmx-users] Mn/Mn2+ Parameters included in Amberff

2016-06-27 Thread Justin Lemkul

On 6/26/16 4:05 PM, Vito Spadavecchio wrote: Hello It looks like parameters for Mn/Mn2+ were (somewhat) recently developed for Amber forcefield (http://pubs.acs.org/doi/abs/10.1021/ct400055v); I'd like to use these parameters for a simulation I'd like to run on MntR (PDB: 1ON2

[gmx-users] Mn/Mn2+ Parameters included in Amberff

2016-06-26 Thread Vito Spadavecchio

Hello It looks like parameters for Mn/Mn2+ were (somewhat) recently developed for Amber forcefield (http://pubs.acs.org/doi/abs/10.1021/ct400055v); I'd like to use these parameters for a simulation I'd like to run on MntR (PDB: 1ON2 ), but