[gmx-users] Regarding TIP4P structure

Justin A. Lemkul jalemkul at vt.edu
Thu Nov 17 14:19:44 CET 2011



Ravi Kumar Venkatraman wrote:
> Dear all,
>              Could anybody send me the link for getting the tip4p tip3p 
> and tip5p single water structure in gro/pdb or in anyother format.
> 

A single water molecule?  Copy and paste the coordinates from the existing .gro 
files in $GMXLIB.

-Justin

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

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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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