AMBER Archive (2008)

Subject: Re: AMBER: Select specific residues (leap)

From: FyD (fyd_at_q4md-forcefieldtools.org)
Date: Mon Mar 31 2008 - 05:31:39 CDT

Quoting Marta Rossini <marta.rossini_at_live.com>:

> I want to relax specific residues in a protein, but it's very
> complicate to select them manually using xleap interface. Is there a
> command to select specific residues (es: ALA32) in xleap or in
> tleap too (since the function "relax" has been included in tleap)
> and include them into a unit?

Please see:
http://q4md-forcefieldtools.org/Tutorial/Tutorial-1.php
&
http://q4md-forcefieldtools.org/Tutorial/leap.php

regards, Francois

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu