[gmx-users] Implicit solvent simulation

Erik Lindahl lindahl at cbr.su.se
Thu Jul 19 11:35:51 CEST 2007


On Jul 19, 2007, at 10:15 AM, Edgar Luttmann wrote:
> I can't find any usage of the GB parameters as read from the mdp  
> file - neither in the latest release nor the HEAD revision in the  
> CVS. Is there another branch in the CVS you got that code in?

No, at least not publicly available atm. And even in our own hacks we  
don't use any the mdp parameters yet since we (i) only support Still,  
(ii) calculate the radii every step, and (iii) haven't bothered with  
salts yet :-)



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