Re: [gmx-users] Can I calculate free energy of Tutorial 1 of Justin's tutorials?

2014-09-25 Thread Justin Lemkul
On 9/25/14 1:42 AM, Batdorj Batsaikhan wrote: Dear gmx users, Can I calculate free energy of Tutorial 1 of Justin's tutorials? Free energy of what? The system? I doubt you could ever get a reliable estimate of that. The free energy code in Gromacs is set up to measure free energy

[gmx-users] Can I calculate free energy of Tutorial 1 of Justin's tutorials?

2014-09-24 Thread Batdorj Batsaikhan
Dear gmx users, Can I calculate free energy of Tutorial 1 of Justin's tutorials? Batsaikhan -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists