RE: [gmx-users] Re: free energy with TIP4P bug fixed

2009-01-29 Thread Berk Hess
From: g...@hotmail.com To: gmx-users@gromacs.org Subject: RE: [gmx-users] Re: free energy with TIP4P bug fixed Date: Thu, 29 Jan 2009 13:48:20 +0100 Hi, You can apply the cvs diff. But even simpler, as I said, is just putting your solute and solvent in separate charge** groups. ** I

RE: [gmx-users] Re: free energy with TIP4P bug fixed

2009-01-29 Thread Berk Hess
Hi, You can apply the cvs diff. But even simpler, as I said, is just putting your solute and solvent in separate charge groups. This should circumvent the issue. Berk From: dmob...@gmail.com To: g...@hotmail.com Date: Thu, 29 Jan 2009 06:35:24 -0600 CC: gmx-users@gromacs.org Subject: [gmx-user