[gmx-users] deletion of some water molecules

[Dallas Warren]

What happened when you tried that command?

 

If you ran the command, tried it, and check the output to see if it is
what you want, you would be a long way head of waiting hours or more for
someone on the emailing list to reply with a response.

 

Catch ya,

Dr. Dallas Warren

Medicinal Chemistry and Drug Action

Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3010
dallas.warren at monash.edu
---------------------------------
When the only tool you own is a hammer, every problem begins to resemble
a nail. 

 

From: gmx-users-bounces at gromacs.org
[mailto:gmx-users-bounces at gromacs.org] On Behalf Of leila karami
Sent: Wednesday, 1 September 2010 12:46 AM
To: gmx-users
Subject: [gmx-users] deletion of some water molecules

 

Dear Erik Marklund 

 

thabks for your attention

 

I want only have water molecules being in 1.5 nm of solute in final
frame (20000 ps)

 

I used following command: trjorder -f *.xtc -s *.tpr -n *.ndx -o *.gro
-r 1.5 -b 20000

is it true?

 

 

 

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