[gmx-users] Re: Locally Enhanced Sampling with Gromacs

David van der Spoel spoel at xray.bmc.uu.se
Sat Jul 8 10:45:57 CEST 2006

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 any reference of using GROMACS for LES. 
>Can you send me some information about this?
>I will be highly obliged for you help?
>Thanking you in advance for your help. 
>Dhiraj K. Srivastava
>Department of Chemistry
>University of Missouri-Columbia
>Columbia, MO

David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel

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