VMD-L Mailing List

From: Chris Harrison (charris5_at_gmail.com)
Date: Wed Sep 12 2012 - 12:03:45 CDT

Can you be more specific? Do you mean setup an Implicit Solvent
simulation in general, or are you asking if there are MDFF-specific
settings that are needed when also using Implicit Solvent?

Chris

On Wed, Sep 12, 2012 at 10:54 AM, Gorka Lasso <gorka.lasso_at_gmail.com> wrote:
> Dear all,
>
> I have noticed that the latest version of NAMD permits to run MDFF
> simulations in implicit solvent. However, the MDFF tutorial does not yet
> explain how to set up the system in such conditions. I would be most
> grateful if someone could let me know where to find the corresponding
> information.
>
> Best,
>
> Gorka Lasso
>
> 

-- 
Chris Harrison, Ph.D.
NIH Center for Macromolecular Modeling and Bioinformatics
Theoretical and Computational Biophysics Group
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave., Urbana, IL 61801
http://www.ks.uiuc.edu/Research/namd       Voice: 773-570-6078
http://www.ks.uiuc.edu/~char                          Fax: 217-244-6078