RE: [gmx-users] ewald_rtol parameter question

2009-02-18 Thread Berk Hess
> Date: Thu, 19 Feb 2009 01:53:47 +1100 > From: mark.abra...@anu.edu.au > To: gmx-users@gromacs.org > Subject: Re: [gmx-users] ewald_rtol parameter question > > Claus Valka wrote: > > Hello, > > > > I would like to ask you a (simple) clarification

Re: [gmx-users] ewald_rtol parameter question

2009-02-18 Thread Mark Abraham
Claus Valka wrote: Hello, I would like to ask you a (simple) clarification question: Reading the manual and equations 4.158 up to 4.160 there is a convergence parameter b (with hellenic letters β). I would like to ask you whether this parameter is the same as the ewald_rtol that I come accross

[gmx-users] ewald_rtol parameter question

2009-02-18 Thread Claus Valka
Hello, I would like to ask you a (simple) clarification question: Reading the manual and equations 4.158 up to 4.160 there is a convergence parameter b (with hellenic letters β). I would like to ask you whether this parameter is the same as the ewald_rtol that I come accross in the manual. If it

[gmx-users] ewald_rtol parameter question

2009-02-18 Thread Claus Valka
Hello,I would like to ask you a (simple) clarification question:Reading the manual and equations 4.158 up to 4.160 there is a convergence parameter b (with hellenic letters β).I would like to ask you whether this parameter is the same as the ewald_rtol that I come accross in the manual. If it is