Re: [gmx-users] Fatal error (g_polystat)

2010-12-23 Thread Chandan Choudhury
-- Chandan kumar Choudhury NCL, Pune INDIA On Fri, Dec 24, 2010 at 3:13 AM, Mark Abraham wrote: > On 24/12/2010 4:58 AM, Chandan Choudhury wrote: > > Hello all !! > > I have a 30 ns trajectory in two parts (0-20 & 20-30). I am using Gromacs > 4.0.7. I concatenated using trjcat (*echo 2 | trjco

Re: [gmx-users] Fatal error (g_polystat)

2010-12-23 Thread Mark Abraham
On 24/12/2010 4:58 AM, Chandan Choudhury wrote: Hello all !! I have a 30 ns trajectory in two parts (0-20 & 20-30). I am using Gromacs 4.0.7. I concatenated using trjcat (*echo 2 | trjconv -s md10-30.tpr -f 0-30.trr -o pbc_whole.trr -n index_grdf.ndx -nice 0*). That looks like subset creati

[gmx-users] Fatal error (g_polystat)

2010-12-23 Thread Chandan Choudhury
Hello all !! I have a 30 ns trajectory in two parts (0-20 & 20-30). I am using Gromacs 4.0.7. I concatenated using trjcat (*echo 2 | trjconv -s md10-30.tpr -f 0-30.trr -o pbc_whole.trr -n index_grdf.ndx -nice 0*). Then I converted the concatenated trajectory into pbc trajectory using trjconv (*ec