Re: [gmx-users] Fe+2 not found in forcefield ffG43a1

2010-04-09 Thread Justin A. Lemkul
Miguel Quiliano Meza wrote: Dear Users. Maybe this question is easy for all, but i have problems, patience please. Actually, your situation is quite hard, which is likely why you haven't found a solution. I do not have experience with metals, now I have a protein (crystal) with Fe+2,

[gmx-users] Fe+2 not found in forcefield ffG43a1

2010-04-09 Thread Miguel Quiliano Meza
Dear Users. Maybe this question is easy for all, but i have problems, patience please. I do not have experience with metals, now I have a protein (crystal) with Fe+2, which is coordinating with three HISTIDINES, one D and two molecules of water, when I try to run "pdb2gmx" the program tells me "R