Mark Abraham a écrit :
Stéphane Téletchéa wrote:
WU Yanbin a écrit :
Hi, Everyone,
If I use GROMOS force field, what molecule generator, specially the
topology generation, should I use (just like for gromacs force field,
there is PRODRG)?
I have tried to convert gromacs topology to GROMOS topology. The
problem is that some atom type like "CS2" in PEO does noe exist in
GROMOS force field. And GROMOS manual can not be downloaded for free.
Where can I find description for each atom type in GROMOS? Any
suggestions? Thanks in advance.
Yours Sincerely,
WU Yanbin
The manual is downloadable for free:
http://www.gromacs.org/gromacs/documentation/documentation.html
You can even have a look at it online:
http://www.gromacs.org/external/online-reference-manual.html
Actually Stephane, Wu referred to the *GROMOS* manual not being free,
which is indeed true.
I saw, *but* this is gromAcs mailing list, no ?
I supposed he would probably post the question for the manual to the
GROMOS people if he wants the GROMOS manual :-)
Cheers,
Stéphane
--
Stéphane Téletchéa, PhD. http://www.steletch.org
Unité Mathématique Informatique et Génome http://migale.jouy.inra.fr/mig
INRA, Domaine de Vilvert Tél : (33) 134 652 891
78352 Jouy-en-Josas cedex, France Fax : (33) 134 652 901
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