Re: CCL:MD in various solvents. The unfortunate summary

From: vkitzing -8 at 8- sunny.mpimf-heidelberg.mpg.de (Eberhard von Kitzing)
Subject: Re: CCL:MD in various solvents. The unfortunate summary
Date: Wed, 2 Jul 1997 15:21:13 +0200

 At 11:34 Uhr 30.06.1997, <CAVALLO -8 at 8- CHEMNA.DICHI.UNINA.IT> wrote:
 >> I would like to receive informations on comparisons of MD simulations
 >> in vacuo with simulations done by using explicit solvents.
 >> In particular, how compare in vacuo simulations with those performed
 >> in CHCl3 ?
 >>
 >> Any reference is appreciated.
 >
 >
 >Well, I received several requests for a summary, it means that some
 >peoples around the world are interested to the subject, but...
 >
 >                    !!! NO INFORMATIONS AT ALL !!!
 >
 >Like nobody has never done such comparisons. Unbelivable.
 Because CHCl3 as a solvent was particularly stressed,
 water examples may have been considered to be of lesser
 value to you. For water you can also look at:
 Andrea Amadei, Antonius B.M. Linssen and Herman J.C. Berendsen (1993).
 "Essential dynamics of proteins." Proteins-Structure Function and
 Genetics
 17(4) 412-425.
 ======================================================================
 Eberhard von Kitzing
 Max-Planck-Institut fuer Medizinische Forschung
 Jahnstr. 29
 D 69115 Heidelberg
 Germanny
 email: vkitzing -8 at 8- sunny.mpimf-heidelberg.mpg.de
 WWW: http://sunny.mpimf-heidelberg.mpg.de/people/vkitzing/Eberhard.html