[gmx-users] H-atoms in .hdb file

[Justin A. Lemkul]

On 6/26/12 10:25 AM, Shima Arasteh wrote:
>
>
>   Dear gmx users,
>
> However this H-atom is defined in .hdb file of force field before, why sometimes I need to add a H-atom to the pdb on my own?
>
>

A properly constructed .hdb entry eliminates the need for manual introduction of 
H atoms.  If you aren't achieving the desired behavior, you will have to be a 
lot more specific about what you're doing and what you're observing.

-Justin

-- 
========================================

Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================