Hello Una (and everyone else)
I'm happy to announce that, while not yet available in cvs, it will
very soon be possible to do implicit solvation with Gromacs.
I'm have a working implementation almost finished, and are currently
running some tests to assure that the code is stable.
With any luck we should be able to commit this to cvs in the next
month or so :-)
Cheers
/Per Larsson, PhD student in the Lindahl group
22 maj 2008 kl. 16.13 skrev Una Bjarnadottir:
To the Gromacs user community,
As of April 2007 it was not possible to do implicit solvent MDs with
Gromacs
(http://www.gromacs.org/pipermail/gmx-users/2007-April/026849.html).
Has
this changed since then?
Kind regards, Una
--
Una Bjarnadottir School of Biomolecular and Biomedical
Science
Conway Institute UCD
Dublin 4, Ireland Phone: +353 1 716 6874, Fax: +353 1 716
6898
Email: [EMAIL PROTECTED]
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