[gmx-users] RE:g_lie

lloyd riggs lloyd.riggs at gmx.ch
Tue Sep 13 12:33:58 CEST 2011

Message: 2
Date: Mon, 12 Sep 2011 18:38:57 +0300
From: ????? ?????? <glapidoth at gmail.com>
Subject: [gmx-users] g_lie (again..)
To: gmx-users at gromacs.org
    <CAB7OWN9sbMP+4XSaYF-ZNLZTy1Ve2e8cJ4pEb-RPdxc9P=yjZA at mail.gmail.com>
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Hi all,

Could anyone please refer to me to a paper or other resource that explains
in detail (specifically technical) on how to preform g_lie. I know the
matter has been brought up here quit often lately but looking through the
mailing list archives and reference papaers (Aquist et al. and similar) tend
to focus on the theory rather than practice.

Thanks in advance,


Just type it into the web, or pubmed.gov.  I get 10 hits such as below.  In addition, I back tracked the origional paper from slides or tutorials that reference the origional gromacs g_lie paper, but are somewhwere on the gromacs web page.

Stephan Watkins

J Mol Graph Model. 2006 Oct;25(2):176-85. Epub 2006 Jan 10.
Predicting proteinase specificities from free energy calculations.
Mekonnen SM, Olufsen M, Smalås AO, Brandsdal BO. 
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