Re: [gmx-users] Understanding the results of NVT simulation

2014-10-29 Thread Dallas Warren
-users-boun...@maillist.sys.kth.se > [mailto:gromacs.org_gmx-users-boun...@maillist.sys.kth.se] On Behalf Of > Agnivo Gosai > Sent: Thursday, 30 October 2014 4:38 AM > To: gromacs.org_gmx-users@maillist.sys.kth.se > Subject: [gmx-users] Understanding the results of NVT simulation &

Re: [gmx-users] Understanding the results of NVT simulation

2014-10-29 Thread Dr. Vitaly Chaban
On Wed, Oct 29, 2014 at 6:37 PM, Agnivo Gosai wrote: > Dear Users > > I did a NVT simulation with the following key parameters :- > > ; Temperature coupling > tcoupl = V-rescale ; modified Berendsen thermostat > tc-grps = DNA_Protein Water_and_ions; two coupling gr

[gmx-users] Understanding the results of NVT simulation

2014-10-29 Thread Agnivo Gosai
Dear Users I did a NVT simulation with the following key parameters :- ; Temperature coupling tcoupl = V-rescale ; modified Berendsen thermostat tc-grps = DNA_Protein Water_and_ions; two coupling groups - more accurate tau_t = 0.1 0.1