Re: [gmx-users] amber/charmm force field and HB lifetime at low temperature

2010-07-12 Thread Ramachandran G
. Your help will be highly appreciated. Thank you. Yours sincerely, Rama On Wed, Jun 30, 2010 at 8:30 PM, Mark Abraham wrote: > > > - Original Message - > From: Ramachandran G > Date: Thursday, July 1, 2010 11:42 > Subject: [gmx-users] amber/charmm force field and

Re: [gmx-users] amber/charmm force field and HB lifetime at low temperature

2010-06-30 Thread Mark Abraham
- Original Message - From: Ramachandran G Date: Thursday, July 1, 2010 11:42 Subject: [gmx-users] amber/charmm force field and HB lifetime at low temperature To: gmx-users@gromacs.org > Hi gromacs users: > Using amber/charmm force field we simulated a solvated protein

[gmx-users] amber/charmm force field and HB lifetime at low temperature

2010-06-30 Thread Ramachandran G
Hi gromacs users: Using amber/charmm force field we simulated a solvated protein system at different temperature(300,250 and 200K). I used TIP5P water model and applied NVT ensemble . We analyzed the hydrogen bond life time correlation function(HBCF) to study the protein water interactions. At