[gmx-users] co-solvent topologies (G53a?)

[David van der Spoel]

On Thu, 2004-10-21 at 17:50, Nuno R. L. Ferreira wrote:
> Hi
> 
> Does anybody have Gromos (G53a?) .itp topology files for methanol (Walser
> et. al, JCP 2000) and DMSO (Geerke et al., JPC-B 2004)?
> 
> Tryed to build those files, but I have doubts that they are ok.
I don't have a topology, but just do a 100 ps simulation with the model
to see if you can reproduce the published density and energy (this you
should do anyway...)
> 
> Regards,
> Nuno
> 
> 
> ######################################
> Nuno Ricardo Santos Loureiro da Silva Ferreira
> Departamento de Química
> Faculdade de Ciências e Tecnologia
> Universidade de Coimbra
> 3004-535 Coimbra - Portugal
> Fax: +351 239 827703  - www.biolchem.qui.uc.pt
> ########################################
> 
> 
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
-- 
David.
________________________________________________________________________
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://xray.bmc.uu.se/~spoel
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++