[gmx-users] h-bonds constraints

Bogdan Costescu bcostescu at gmail.com
Fri Aug 19 20:31:36 CEST 2011

On Fri, Aug 19, 2011 at 20:02, Dr. Vitaly V. Chaban <vvchaban at gmail.com> wrote:
> What criterion does the grompp utility use to identify H-atoms when it
> is requested in the MDP file to apply constraints=h-bonds? Thanks.

Any atom name starting with H or h (so case-insensitive).


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