Re: [gmx-users] shake and settle

- Original Message - From: subarna thakur Date: Saturday, May 22, 2010 19:23 Subject: [gmx-users] shake and settle To: gmx-users@gromacs.org --- | > Hi gmx user > I want to use shake algorithm for bonds within protein and

[gmx-users] shake and settle

Hi gmx user I want to use shake algorithm for bonds within protein and settle algorithm for the bonds of the water. How do I specify two different constraints algorithm in pr.mdp file?  Subarna Thakur -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/