[gmx-users] Inserting water to active site

Itamar Kass ikass at cc.huji.ac.il
Tue Jan 3 19:26:14 CET 2006


If I correctly undesrtand your problem, then you just have to add a line, at the
top file:
SOL      yyyy (yyyy is the number of water molecule you add).


Quoting hnam <mahnam at ibb.ut.ac.ir>:

> In the name of God
> Hello everyone
> I want to put a water at active site my protein and constraint it near Zn.I
> made one gro file that it contains protein and water with proper coordinate
> but I don't know how to correct top file.
> May I ask who to correct top file.
> Thank you very much in advance
> Institute of  Biochemistry  and  Biophysics (IBB)
> Tehran University
> P.O.box 1417614411
> Tehran
> Iran
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| Itamar Kass
| The Alexander Silberman
| Institute of Life Sciences
| Department of Biological Chemistry
| The Hebrew University, Givat-Ram
| Jerusalem, 91904, Israel
| Tel: +972-(0)2-6585194
| Fax: +972-(0)2-6584329
| Email: ikass at cc.huji.ac.il
| Net: http://www.ls.huji.ac.il/~membranelab/itamar/itamar_homepage.html

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