Re: [gmx-users] constraint in Production

2013-12-04 Thread Justin Lemkul
On 12/3/13 11:43 AM, kiana moghaddam wrote: Dear Users I have a problem about production step in MD simulation. Can this step be run with constraints or unconstraints? Whether or not you use constraints depends on whether you need them. It is quite common to constrain at least the bonds

[gmx-users] constraint in Production

2013-12-03 Thread kiana moghaddam
Dear Users I have a problem about production step in MD simulation. Can this step be run with constraints or unconstraints?  Best Regards -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Rea