Re: AMBER: rotating and repositioning molecules in xleap

From: Angelo Pugliese <>
Date: Sun, 22 May 2005 10:37:44 +0100

In the Edit window of Xleap there are all the commands that you
need....just play around with it.

When you connect two molecule they become one single entity ( one
molecule) so you need to add parameters for this new molecule....the
easiest thing is to find the new parameters by analogy with other
parameters already in the AMBER database and upgrade your .frcmod file.

Hope it helps


Hwankyu Lee wrote:

> Dear Amber-users,
> 1) I'm connecting two molecules in xleap, and want to position those
> molecules with specific configuration. I thought I can do that in edit
> of xleap, but cannot find how to do this. Could you tell me how to
> rotate and reposition molecules in xleap ? Is it possible in edit
> (visual tool) of xleap?
> 2) Although I had .frcmod file by using parmchk, when I connected two
> molecules, I got an error like "could not find angle parameter" or
> "Could not find bond~~". In that case, how can I get reasonable angle,
> bond or torsion parameters?
> Thanks for your help in advance.
> best,
> Hwankyu.
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Received on Mon May 23 2005 - 09:53:01 PDT
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