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

David van der Spoel spoel at xray.bmc.uu.se
Sun May 20 21:00:21 CEST 2007

WU Yanbin wrote:
> 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.

have you checked the gromos papers?
>                                              Yours Sincerely,
>                                                           WU Yanbin
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David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se

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