Aw: Re: [gmx-users] How to calculate enthalpy

2013-07-19 Thread lloyd riggs
through others first, and I do not know what you wished to do completly.   Stephan Watkins Gesendet: Montag, 15. Juli 2013 um 19:25 Uhr Von: "lloyd riggs" An: "Discussion list for GROMACS users" Betreff: Aw: Re: [gmx-users] How to calculate enthalpy Whats the energy of

Aw: Re: [gmx-users] How to calculate enthalpy

2013-07-15 Thread lloyd riggs
Whats the energy of each waters hydrogen bonding strength respective of each one...as they vary by a couple kcal/mol according to the new IUPAC standard deffinition of hydrogen bonds (2011)?  And the energy of the internal structural hydrogen bonds that were disrupted?  Assuming no acidic enviornme