[gmx-users] tip3p water model

[Justin A. Lemkul]

Justin A. Lemkul wrote:

> The angle of TIP3P should be 104.5, also.  Where have you seen 109.4?

Oops, read that backwards, sorry!  Indeed, SPC has an angle of 109.4, but using 
tip3p.itp from the spc.gro file should fix the angles after a bit of EM and 
equilibration.

-Justin

> 
>> Can clear me this doubt
>> Thanks in advance.
>>
>>
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-- 
========================================

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

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