Re: AMBER: bond command

From: Wang,Ying <wangying.ufl.edu>
Date: Thu, 10 Jul 2008 13:56:01 -0400 (EDT)

hi, you can use tleap. type the commands in a script file.


On Thu Jul 10 13:30:46 EDT 2008, Boutheina Kerkeni
<b.kerkeni.ucl.ac.uk> wrote:

> Hi Amber users
>
>
> I have a question about bond command. I have to use it more than
> 100 times, I wonder if there is a way to rather than typing each
> bond command into xleap,loading a whole file that contains
> these say 100 bond lines in one go? If yes, how should such file
> be written, and what is the command to load it into xleap to
> build the model?
> Thanks for any light you could shed on this matter.
> Best Reagrds
> Boutheina
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Wang,Ying
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Received on Sun Jul 13 2008 - 06:07:32 PDT
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