Re: [gmx-users] Force Field Choice

2012-08-27 Thread Justin Lemkul
On 8/27/12 1:32 PM, Marcelo Depolo wrote: Dear all, Is there a consensus on force field choice? I read in this group, people suggesting compare experimental data and simulation data. But in case of there's none experimental data about structural data, what to do? There was a discussion abo

[gmx-users] Force Field Choice

2012-08-27 Thread Marcelo Depolo
Dear all, Is there a consensus on force field choice? I read in this group, people suggesting compare experimental data and simulation data. But in case of there's none experimental data about structural data, what to do? I apologize previously the silly doubt. Best regards! -- Marcelo DepĆ³lo P