[gmx-users] dielectric constant in reaction field (Gromacs3.3)

Maik Goette mgoette at mpi-bpc.mpg.de
Tue Oct 18 13:11:45 CEST 2005

Hi all

Can anyone tell me (for there is no 3.3 manual,yet), what GROMACS3.3 
does in this case:
WARNING 1 [file 1nsfeprf01sc.mdp, line unknown]:
epsilon_r = 54 and epsilon_rf = 1 with reaction field, assuming old
format and exchanging epsilon_r and epsilon_rf

Does it change the values into the new format (my guess), or throws them 
away (I hope not)?
What do I have to change in the mdp-file?


Maik Goette, Dipl. Biol.
Max Planck Institute for Biophysical Chemistry
Theoretical & computational biophysics department
Am Fassberg 11
37077 Goettingen
Tel.  : ++49 551 201 2310
Fax   : ++49 551 201 2302
Email : mgoette[at]mpi-bpc.mpg.de
WWW   : http://www.mpibpc.gwdg.de/groups/grubmueller/

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