Re: implicit solvent with iapbs

From: Robert Konecny (rok_at_ucsd.edu)
Date: Mon Feb 01 2010 - 17:30:09 CST

• Next message: ipsita basu: "Re: water structure"
• Previous message: Jeffrey J. Potoff: "Questions about thermodynamic integration in NAMD 2.7b2"
• In reply to: BIN ZHANG: "implicit solvent with iapbs"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

Hi Bin,

unfortunately APBS (and thus iapbs) currently does not support periodic
boundary conditions (which I'm assuming you would use for a membrane
protein system).

Thanks,

Robert

On Wed, Jan 27, 2010 at 11:33:38PM -0800, BIN ZHANG wrote:
> Dear all:
>
> I was just wondering whether anyone here has tried NAMD with implicit
> solvent using iAPBS? What is the best speedup one can expect using this,
> say for a membrane protein system?
>
> Thanks,
> Bin

• Next message: ipsita basu: "Re: water structure"
• Previous message: Jeffrey J. Potoff: "Questions about thermodynamic integration in NAMD 2.7b2"
• In reply to: BIN ZHANG: "implicit solvent with iapbs"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:53:44 CST