Re: [gmx-users] Error:EM did not converge while using polarizable ion

2015-07-31 Thread
Using sol2 option in the force field, and double precision version of gromacs might help. Yi On Jul 31, 2015 7:15 PM, "折晓会" wrote: > Dear all, > > I am now trying to simulation polarizable LiCl solutions with Gromacs > 5.0.5, where SWM4-NDP water model and corresponding polarizable ion model > a

Re: [gmx-users] Generate the water box

2015-05-20 Thread
genbox without adding a protein. On Wed, May 20, 2015 at 9:56 AM, Vy Phan wrote: > Dear Gromacs Users, > > Can I generate only water on the Gromacs? I need water box only. > > Thank you > Tuong Vy > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Suppo