RE: RE: [gmx-users] Dipeptide generation problem [Justin, Mark, Osmair]

Olá, Justin, Mark and Osmair. Thanks for help. Building dipeptide has not been the problem. Actually I need to use atomic coordinates obtained from a previous X-ray crystal structure. For this, I need to give each atom its proper name. That is, I have this: ... ATOM 10C UNK 1

Re: [gmx-users] Dipeptide generation problem [Justin, Mark, Osmair]

Eudes Fileti wrote: Olá, Justin, Mark and Osmair. Thanks for help. Building dipeptide has not been the problem. Actually I need to use atomic coordinates obtained from a previous X-ray crystal structure. For this, I need to give each atom its proper name. That is, I have this: ... ATOM