[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,
> gmx-users mailing list gmx-users at gromacs.org
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Peter C. Lai | University of Alabama-Birmingham
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Genetics, Div. of Research | 705 South 20th Street
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