[gmx-users] Regarding hydrogen bond dynamics

[Justin Lemkul]

On 6/13/17 2:44 AM, Dilip H N wrote:
> Hello,
> I want to study the hydrogen bond dynamics (continuous and intermittent) of
> my system of amino acid with solvent mixture.
> I have tried gmx hbond..but i am unable to figure it out....
> Is there any other means to study the hydrogen bonding of the above
> system....
> 

The purpose of gmx hbond is to compute hydrogen bonds, so no, there's no other 
tool in GROMACS to do this.  But if you want useful help, you have to actually 
describe what you're doing, what you tried, and why it didn't work to your 
expectations.

-Justin

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Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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