Re: [AMBER] Setting Atom Types

From: case <case.biomaps.rutgers.edu>
Date: Tue, 25 May 2010 15:48:14 -0400

On Tue, May 25, 2010, Alex Boncheff wrote:
>
> > x = sequence { ROH 0GB }
> > desc x
> UNIT name: ROH
> Head atom: .R<ROH 1>.A<HO1 1>
> Tail atom: .R<0GB 2>.A<C2 19>
> Contents:
> R<ROH 1>
> R<0GB 2>
> > set x head x.2.O2
> The value must be of the type: Atom

I don't see this message:

> set x head x.2.O2
> desc x
UNIT name: ROH
Head atom: .R<0GB 2>.A<O2 21>
Tail atom: .R<0GB 2>.A<C2 19>
Contents:
R<ROH 1>
R<0GB 2>

...showing that the head atom has indeed been changed.

So: what version of AmberTools? Which OS and compiler? What arguments
did you give to configure, and what does "uname -a" report?

....dac


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Received on Tue May 25 2010 - 13:00:08 PDT
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