[gmx-users] Saving .gro and .pdb files

Marcos Villarreal arloa at dqb.fcq.unc.edu.ar
Thu Oct 9 19:19:01 CEST 2003

On Thursday 09 October 2003 13:00, you wrote:
> Hi folks,
> 	Is there any comand or program in gromacs that add all the hidrogens
> (not only the acidic ones) to a protein in a .gro or .pdb file  ????
> 	In other hand, is there a way of converting a .gro file to a .car file
> ?????
> 	Thanks a lot in advance.
> 	Tanos C. C. Franca
> 	IME - Brazil

You can choose OPLS-AA/L force field in pdb2gmx

Marcos Villarreal
Grupo de Biofisica
Departamento de Quimica Biologica - CIQUIBIC.
Universidad Nacional de Cordoba.
Cordoba. Argentina.

More information about the gromacs.org_gmx-users mailing list