<html><head></head><body><div style="font-family: Verdana;font-size: 12.0px;"><div>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 enviornment where electrons are involved...means of coarse...
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<div style="margin:0 0 10px 0;"><b>Gesendet:</b> Montag, 15. Juli 2013 um 10:34 Uhr<br/>
<b>Von:</b> pooja_gupta@nccs.res.in<br/>
<b>An:</b> vvchaban@gmail.com, "Discussion list for GROMACS users" <gmx-users@gromacs.org><br/>
<b>Betreff:</b> Re: [gmx-users] How to calculate enthalpy</div>
<div name="quoted-content">Thanks Vitaly<br/>
<br/>
but how??<br/>
<br/>
let's say the difference between unfolded to folded protein is 100 water<br/>
molecules. What is the correct procedure to calculate (theoretically) the<br/>
entrapy correspond to single water molecule for stabilizing/destabilizing<br/>
the protein.<br/>
<br/>
help me<br/>
<br/>
> Sure, you can.<br/>
><br/>
><br/>
><br/>
> Dr. Vitaly V. Chaban<br/>
><br/>
><br/>
> On Mon, Jul 15, 2013 at 8:38 AM, <pooja_gupta@nccs.res.in> wrote:<br/>
><br/>
>> Hi<br/>
>><br/>
>> I want calculate the enthalpy of water molecule corresponding to protein<br/>
>> folded and unfolded state.<br/>
>> How much a single water molecule (enthalpy and free energy) contribute<br/>
>> in<br/>
>> folding ?<br/>
>> Can we calculate enthapy from g_energy?<br/>
>><br/>
>><br/>
>><br/>
>> --<br/>
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>><br/>
> --<br/>
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><br/>
<br/>
<br/>
<br/>
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