Re: [gmx-users] pdb2gmx and arginine

Yang Ye wrote: On 6/19/2007 5:29 PM, Roberto Marchese wrote: Dear GROMACS Users, the OPLSAA force field (implemented in gromacs), have a notation for deprotonated arginine ARGN vs ARG (charge 0). The utility pdb2gmx don't give do possibility to set arginine protonation state, like LYS, HIS ..

Re: [gmx-users] pdb2gmx and arginine

On 6/19/2007 5:29 PM, Roberto Marchese wrote: Dear GROMACS Users, the OPLSAA force field (implemented in gromacs), have a notation for deprotonated arginine ARGN vs ARG (charge 0). The utility pdb2gmx don't give do possibility to set arginine protonation state, like LYS, HIS ... There are a w

[gmx-users] pdb2gmx and arginine

Dear GROMACS Users, the OPLSAA force field (implemented in gromacs), have a notation for deprotonated arginine ARGN vs ARG (charge 0). The utility pdb2gmx don't give do possibility to set arginine protonation state, like LYS, HIS ... There are a way to overcome this problem? I have found at