Re: [gmx-users] DFLEXIBLE option

2011-05-10 Thread Kavyashree M
Thanks With Regards Kavya On Tue, May 10, 2011 at 5:32 PM, Justin A. Lemkul wrote: > > > Kavyashree M wrote: > >> Dear users, >> >> I wanted to know when DEFINE = -DFLEXIBLE has to be used. >> its given in the manual that it has to be used when we require flexible >> water instead of rigid

Re: [gmx-users] DFLEXIBLE option

2011-05-10 Thread Justin A. Lemkul
Kavyashree M wrote: Dear users, I wanted to know when DEFINE = -DFLEXIBLE has to be used. its given in the manual that it has to be used when we require flexible water instead of rigid waters, so if I am using tip4p water model and OPLSAA force field, and i use DFLEXIBLE option in EM and