Subject: rMD/NMR in Water

From: val <[email-masked]>
Date: Thu, 03 Dec 1998 11:01:16 -0800

Dear CCL'ers,

I am looking for  Molecular Dynamics package for restrained MD
simulations of DNA molecules using NMR-derived distance and angle
restrains "in water solution".
The following features are of most importance: 1) AMBER, CHARMM or
equal on quality force field, 2) the ability to include water molecules
and ions explicitly, 3) particle mesh Ewald method. Of course tools
to set up water box and put ions, as well as parallel code, are very
appreciated.
The program must be freeware (please no low cost academic licenses).

Undoubtedly, there are a lot of sites on the net listing all available
MD software, but it would be better to get more exact solution rather
than just a point to "MD-links" www page.

The summary will follow.

Thanks in advance!

         sincerely yours,
         Valentin.

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