nishap.pa...@utoronto.ca wrote:
I believe the bonds are not defined in the OPLS-AA force field for NaCl.
I know this might sound like a stupid question, but is there a way to
determine the bond force constant (kb), I tried to look it up, but I
couldn't find anything.
There may be informat
I believe the bonds are not defined in the OPLS-AA force field for
NaCl. I know this might sound like a stupid question, but is there a
way to determine the bond force constant (kb), I tried to look it up,
but I couldn't find anything.
Quoting "Justin A. Lemkul" :
nishap.pa...@utoront
- Original Message -
From: nishap.pa...@utoronto.ca
Date: Tuesday, August 17, 2010 3:56
Subject: [gmx-users] NaCl
To: gmx-users@gromacs.org
> Hello,
>
> I want to simulate a simple NaCl ion in
Well, technically not an ion. I reckon that even given Moore's Law wil
nishap.pa...@utoronto.ca wrote:
Hello,
I want to simulate a simple NaCl ion in water. I know the method
using genion which adds individual Na+ and Cl- ion, but I wish to
simulate Na-Cl connected rather than free ions floating in water. When I
ran the grompp command I got the error:
No
Hello,
I want to simulate a simple NaCl ion in water. I know the method
using genion which adds individual Na+ and Cl- ion, but I wish to
simulate Na-Cl connected rather than free ions floating in water. When
I ran the grompp command I got the error:
No default Bond types
So I am think
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