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

[David van der Spoel]

On Thu, 2003-10-09 at 19:20, Marcos Villarreal wrote:
> 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

or use protonate for gro file or trjaectory
-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assist. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++