Re: GBIS and ABF

From: Branko (bdrakuli_at_chem.bg.ac.rs)
Date: Fri Mar 18 2011 - 04:53:00 CDT

Thanks a lot Giacomo, defining of colvars that include solute atoms only
was an idea, when I post question :-)

Sincerely

Branko

On 3/18/2011 2:02 AM, Giacomo Fiorin wrote:
> Sure, for as long as you select solute atoms when defining the
> variable(s).
>
> Giacomo
>
> ---- ----
> Dr. Giacomo Fiorin
> ICMS - Institute for Computational Molecular Science - Temple University
> 1900 N 12 th Street, Philadelphia, PA 19122
> giacomo.fiorin_at_temple.edu <mailto:giacomo.fiorin_at_temple.edu>
> ---- ----
>
>
>
> On Thu, Mar 17, 2011 at 4:50 PM, Branko <bdrakuli_at_chem.bg.ac.rs
> <mailto:bdrakuli_at_chem.bg.ac.rs>> wrote:
>
> Is ABF can be applied with GBIS in NAMD 2.8, most probably solvent
> model is not limited to water only. Thanks for respond
>
> Branko
>
>
>
>
> No virus found in this incoming message.
> Checked by AVG - www.avg.com
> Version: 9.0.894 / Virus Database: 271.1.1/3512 - Release Date: 03/17/11 08:34:00
>

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 05:23:41 CST