AMBER Archive (2008)

Subject: Re: AMBER: bond command

From: Wang,Ying (wangying_at_ufl.edu)
Date: Thu Jul 10 2008 - 12:56:01 CDT

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_at_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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