[gmx-users] sulfate in topology file with oplsaa forcefield

2010-07-06 Thread you zou
Dear users, I have to complete my topology file and there is sulfate(SO4(-2)) in pdb file. But I don't know how can I complete this file with oplsaa forcefield. I can't find so4 in ffopls.tpr file. I would really appropriate if you could do this for me. thank you

Re: [gmx-users] sulfate in topology file with oplsaa forcefield

2010-07-06 Thread Justin A. Lemkul
you zou wrote: Dear users, I have to complete my topology file and there is sulfate(SO4(-2)) in pdb file. But I don't know how can I complete this file with oplsaa forcefield. I can't find so4 in ffopls.tpr file. I would really appropriate if you could do this for me. I truly doubt