Dear Chris:
Thank you very much for it!
Best!
Xueming
On Thu, Aug 12, 2010 at 5:33 PM, wrote:
> Dear Xueming:
>
> the word "mol" is short form for "mole"
>
> http://en.wikipedia.org/wiki/Mole_%28unit%29
>
> In the pull code context, it refers to moles of the pulled group.
>
> The force is not
Dear Berk:
Thank you so much for the clarification!!! It is so helpful!
Best!
Xueming
On Fri, Aug 13, 2010 at 4:13 AM, Berk Hess wrote:
>
>
> > Date: Thu, 12 Aug 2010 17:33:09 -0400
> > From: chris.ne...@utoronto.ca
> > To: gmx-users@gromacs.org
> > Subject:
> Date: Thu, 12 Aug 2010 17:33:09 -0400
> From: chris.ne...@utoronto.ca
> To: gmx-users@gromacs.org
> Subject: [gmx-users] Units of k1 in the pulling code
>
> Dear Xueming:
>
> the word "mol" is short form for "mole"
>
> http://en.wikipe
Dear Xueming:
the word "mol" is short form for "mole"
http://en.wikipedia.org/wiki/Mole_%28unit%29
In the pull code context, it refers to moles of the pulled group.
The force is not "applied" to the COM of a cluster. The magnitude of
the force is determined based on the COM distance, and the
Hi there
The units for pull_k1 = $$ kJ/mol/nm. If this force is applied to a cluster,
the "/mol" in the units of force means per atom in the cluster, or single
molecule composed of several atoms? Sorry, I don't know the default value of
mol in gromacs. Does that mean per molecule? Besides, the for
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