[gmx-users] h-bonds constraints

[Dr. Vitaly V. Chaban]

Thanks! That's reasonable.


On Fri, Aug 19, 2011 at 2:31 PM, Bogdan Costescu <bcostescu at gmail.com> wrote:
> 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).
>
> Cheers,
> Bogdan
>