[gmx-developers] Gromacs Gentop
Alexey Shvetsov
alexxyum at gmail.com
Wed Feb 10 17:33:03 CET 2010
On Среда 03 февраля 2010 10:52:26 David van der Spoel wrote:
> On 2/2/10 11:23 PM, Alexey Shvetsov wrote:
> > Hi all!
> >
> > I saw that in gmx-commit ml there is project "Gromacs gentop".
> > What is it? Is it new tool to generate topologies?
>
> Yes, topologies and force fields.
>
> This is not production quality software yet, however, this is why it is
> not available to everyone.
Will it support gamess-us for qm charge caclulations?
And will it be available for testing?
--
Best Regards,
Alexey 'Alexxy' Shvetsov
Petersburg Nuclear Physics Institute, Russia
Department of Molecular and Radiation Biophysics
Gentoo Team Ru
Gentoo Linux Dev
mailto:alexxyum at gmail.com
mailto:alexxy at gentoo.org
mailto:alexxy at omrb.pnpi.spb.ru
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