You could add them with modeller or rosseta,
Andrés Ortega
Ing. Electrónica
Universidad del Valle
El 19/03/2014, a las 14:36, "Guo, Yanan" escribió:
> Hello dear gmx-users,
>
> I want to transform a .pdb file to a .gro file using pdb2gmx. But there are
> some missing residues in my .pdb f
On Sat, Dec 14, 2013 at 7:03 AM, delara aghaie wrote:
> Dear Gromacs users, I am going to simulate human serum albumin( HSA) ..
> The pdb file contains warfarin as well.
>
> Now I have two questions:
> 1) to delete warfarin which lines should be removed? only those starting
> with HETATM or more?
