[gmx-users] Do not want to add hydrogens to intial pdb structure

Peter C. Lai pcl at uab.edu
Thu Sep 27 12:15:02 CEST 2012

Specify a united atom forcefield?

You can also do a direct conversion from pdb to gro using editconf, but
that's not going to generate a topology.

On 2012-09-27 03:38:15PM +0530, mohan maruthi sena wrote:
> Hi all,
>              When we generate .gro , .top files  using pdb2gmx command it
> add hydrogens to the structure depending upon the valency of the atom. Is
> there any option in gromacs such that it does not add hydrogens to the
> intial structure .
> Thank you,
> Mohan
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Peter C. Lai			| University of Alabama-Birmingham
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