[gmx-users] Re:NEW SOLVENT - DMF box equilibration

Alexander yakovenko_a at ukr.net
Fri Jul 11 10:46:02 CEST 2003

Hi Jiri,

I hope this article will help you to correctly parameterize your DMF
molecule prototype for physical properties of solution.

Roland Faller, Heiko Schmitz, Oliver Biermann,Florian Muller
Automatic Parameterization of Force Fields for Liquids by Simplex Optimization
May 2, 2002  

Best regards,

Alexander Yakovenko
Institute of Molecular Biology & Genetic of NAS of Ukraine
acad.Zabolotnogo str. 150
E-mail: yakovenko_a at ukr.net

More information about the gromacs.org_gmx-users mailing list