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

[Alexander]

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
03143
acad.Zabolotnogo str. 150
Kiev
Ukraine
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E-mail: yakovenko_a at ukr.net