RE: AMBER: Select specific residues (leap)

From: FyD <>
Date: Mon, 31 Mar 2008 15:32:30 +0200

Quoting Marta Rossini <>:

> this is what I meant, but now I obtain an "ERROR: syntax error" when
> I type the command relax also if I try to reproduce your example! I
> loaded leaprc.ff99 at the startup, and I don't understand what is
> wrong...

First strickly follow the tutorial,
i.e. selecting the atoms
then modify the LEaP script by selecting the residue instead of the atoms.

Each you get an error (because you wrote a wrong command), it might be
better to start a new LEaP session because sometimes LEaP does not
work anymore once a wrong command is entered (???).

regards, Francois

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Received on Fri Apr 18 2008 - 21:15:38 PDT
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