Hi,
LES as developed by Elber is available in CHARMM and MOIL.
Ran.
Massimiliano Bonomi wrote:
> Hi!
> You may want to try PLUMED, which is the evolution of grometa
>
> http://merlino.mi.infn.it/~plumed/PLUMED/Home.html
>
> and can do also steered MD and umbrella sampling.
>
> Massimiliano
>
> On
Hi!
You may want to try PLUMED, which is the evolution of grometa
http://merlino.mi.infn.it/~plumed/PLUMED/Home.html
and can do also steered MD and umbrella sampling.
Massimiliano
On Jan 27, 2010, at 8:48 AM, David van der Spoel wrote:
> On 1/27/10 7:49 AM, swa...@ncbs.res.in wrote:
>> Dear Dr
On 1/27/10 7:49 AM, swa...@ncbs.res.in wrote:
Dear Dr. Spoel,
I am garduate student in National Centre for Biological
Sciences(NCBS-TIFR), India. I am willing to do Locally Enhanced
Sampling(LES) in one my research project.I saw few webpages on LES using
GROMACS but not able to find any proper d
On Thu, 6 Jul 2006, Srivastava, Dhiraj (UMC-Student) wrote:
>Hi Dr. Spoel
> I am a graduate Student in Department of Chemistry at
> University of Missouri-Columbia and want to do Locally Enhanced Sampling
> (LES). Can i do it with GROMACS and if yes then how? I am not getting
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