[gmx-users] K+ atom type is not found in GROMOS96

Xavier Periole x.periole at rug.nl
Thu Jan 27 12:25:05 CET 2005

>Actually, I used several K+ to neutralise the system, but the rest are used to 
>do functional study. I study the effect of K+ on the protein structure and 
>biological function etc. Yes, I could use Na. Will the difference of K and NA 
>affect the result? 
Could be !! Even though those two cations are semilar in some aspect 
they are two
different atoms !!! I guess that you have some experimental data that 
motivates your
study. You could ask the author what hey think about. Might be no effect !!



   Xavier Periole - Ph.D.

   Dept. of Biophysical Chemistry / MD Group 
   Univ. of Groningen
   Nijenborgh 4
   9747 AG Groningen
   The Netherlands

   Tel: +31-503634329
   Fax: +31-503634800
   email: x.periole at rug.nl
   web-page: http://md.chem.rug.nl/~periole

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