subject:"\[gmx\-users\] Fwd\: MMPBSA"

Re: [gmx-users] Fwd: MMPBSA

2018-02-12 Thread Wes Barnett

On Fri, Feb 9, 2018 at 8:14 AM, RAHUL SURESH wrote: > Dear all > > I have carried out a protein ligand simulation for 50ns and performed a > PBSA calculation for 10-20ns trajectory. I get a positive binding energy. > How can I tackle it..? > > Thank you > > I think you

[gmx-users] Fwd: MMPBSA

2018-02-09 Thread RAHUL SURESH

Dear all I have carried out a protein ligand simulation for 50ns and performed a PBSA calculation for 10-20ns trajectory. I get a positive binding energy. How can I tackle it..? Thank you -- *Regards,* *Rahul Suresh* *Research Scholar* *Bharathiar University* *Coimbatore* -- Gromacs Users