On Mon, 4 Nov 2002, Carlos Simmerling wrote:
> I am not sure how leap applies torsion restraints,
> but including them inside sander is relatively simple
> and works well.
> Carlos
Hi Carlos, (and all)
sander restraints are easy to introduce. Is there any way of
maintainig the restrained degrees of freedom during a gibbs
TI calculation?? (I want them to be harmonically fixed with
constants non-varying with lambda)
Thanks for your answer,
--------------------------------------------------------------------------
Jose R. Blas
Molecular Modelling & Bioinformatics e-mail:jramon_at_mmb.pcb.ub.es
IRBB, Parc Cientific de Barcelona phone: + 34 93 40371 55
C/Josep Samitier 1-5,
08028 Barcelona
SPAIN
From chernhoe_at_imcb.nus.edu.sg 06 Nov 2002 15:23:18 +0800
Message-id: <1036567398.29553.4.camel.tommy.ima.org.sg>
Date: 06 Nov 2002 15:23:18 +0800
From: chernhoe <chernhoe_at_imcb.nus.edu.sg>
To: AMBER list <amber.heimdal.compchem.ucsf.edu>
Subject: amber on RH8
In-Reply-to: <005301c28440$fb97d400$fe5e3181.carlosvaio>
I could not compile the X-windows version of leap on RH8. Does anyone
have a solution?
Received on Tue Nov 05 2002 - 16:35:44 PST
