Re: [gmx-users] Re: Press Equilibration

2012-06-12 Thread Mark Abraham
On 12/06/2012 9:14 PM, rama david wrote: On Tue, Jun 12, 2012 at 4:40 PM, rama david > wrote: Hi Gromacs Friends, I did NPT for 100 ps with folowing parameter ; Temperature coupling is on tcoupl= V-rescale; modified Berendsen the

[gmx-users] Re: Press Equilibration

2012-06-12 Thread rama david
On Tue, Jun 12, 2012 at 4:40 PM, rama david wrote: > > Hi Gromacs Friends, > > I did NPT for 100 ps with folowing parameter > > ; Temperature coupling is on > tcoupl= V-rescale; modified Berendsen thermostat > tc-grps= Protein Non-Protein; two coupling groups - more > accur