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

[David van der Spoel]

On Tue, 2005-10-18 at 13:11 +0200, Maik Goette wrote:
> 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
You can see it in the md.log file or in the tpr file using gmxdump.
Probably your system will explode.

> 
> 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?
> 
> Thanx
>