AMBER Archive (2008)

Subject: Re: AMBER: bond command

From: M. L. Dodson (activesitedynamics_at_comcast.net)
Date: Thu Jul 10 2008 - 13:34:33 CDT

Boutheina Kerkeni 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

Look at the bondByDistance command. If you have 100 bonds that cannot
be mostly recovered using bondByDistance, something may be seriously
wrong with your structure.

Bud Dodson 

-- 
M. L. Dodson
Business Email: activesitedynamics-at-comcast-dot-net
Personal Email:	mldodson-at-comcast-dot-net
Phone:	eight_three_two-56_three-386_one
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
      to majordomo_at_scripps.edu