Re: [PyMOL] Preparation of the starting structure for the Gromacs simulation

2011-10-30 Thread lina
On Mon, Oct 31, 2011 at 2:21 AM, James Starlight wrote: > Dear PyMol users! > > I want to prepare my pdb structure for MD simulation with gromacs You may ask in gmx list. > > 1- I want to place some CAP groups like ACE or NH2 to N and C termii of 1 > and last residue of my protein, respectyally.

[PyMOL] Preparation of the starting structure for the Gromacs simulation

2011-10-30 Thread James Starlight
Dear PyMol users! I want to prepare my pdb structure for MD simulation with gromacs 1- I want to place some CAP groups like ACE or NH2 to N and C termii of 1 and last residue of my protein, respectyally. I found possible option for this in the build- amono acids buit creted via this way ACE or N