[gmx-users] reg. water mol. and its residence time

2010-10-06 Thread babu gokul 
Dear friends 
I would like to get the water molecule residue no which is near a protein 
molecule active site and its residence time could anyone please help me in this 
regard 

Thanking you 
E R Azhagiya singam 

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Re: [gmx-users] reg. water mol. and its residence time

2010-10-06 Thread Erik Marklund 

 babu gokul skrev 2010-10-06 12.27:

Dear friends
I would like to get the water molecule residue no which is near a 
protein molecule active site and its residence time could anyone 
please help me in this regard

Thanking you
E R Azhagiya singam



Try g_dist and/or g_hbond.

--
---
Erik Marklund, PhD student
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,75124 Uppsala, Sweden
phone:+46 18 471 4537fax: +46 18 511 755
er...@xray.bmc.uu.sehttp://folding.bmc.uu.se/

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