[gmx-users] What molecule generator should be used if using GROMOS Force Field?

Stéphane Téletchéa steletch at jouy.inra.fr
Tue May 22 16:14:24 CEST 2007

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 :-)


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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