[gmx-users] Nucl. Acids Force-Field Importation???

Patrick Ladam ladam at smbh.smbh.univ-paris13.fr
Fri Mar 1 22:43:55 CET 2002

Hi there,

I am a brand new GROMACS user (downloaded yesterday, spent the evening
installing/running the demos).
First let me say I am really impressed by this soft, I am used to work with CNS
(previously XPLOR) for
srtucture determination of Nucl. Acids by NMR and Oh my! what a difference
concerning ease of use
(Real nice doc too!).
I use VMD and was happy to be able to read the trajectory files with it, good
idea too
concerning xmgrace!
By the way I also loved the RHCP and FZ lyrics extracts at the end of

GROMACS seems above all proteins oriented and its force-field not up-to-date for
Nuc. Acids
(what I read at least in a mail of the mail-list).

So I plan to import the CNS dna-rna-all-atom param and top files in GROMACS,
possibility would be to import AMBER FF.

What is your opinion about this and what would be the best way to do it?
Simply translate the CNS files into a  ff*.rtp file?

ThanX and once again congrats for GROMACS

The central Scruuuuuuutinizer (Private Joke...)

| Patrick LADAM                   |                               |
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