VMD-L Mailing List

From: Gorka Lasso (gorka.lasso_at_gmail.com)
Date: Thu Sep 13 2012 - 02:40:08 CDT

Hi Chris,

Well, actually both. I have never set up an implicit solvent simulation and
I don't know if an MDFF

On 12 September 2012 19:03, Chris Harrison <charris5_at_gmail.com> wrote:

> 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
> 

-- 
<-------------------------------->
-) Gorka Lasso Cabrera (-
* www.gorkalasso.com *
<--------------------------------->