Re: [gmx-users] Trajectory files are too big

2008-01-22 Thread Nabajyoti Goswami
Thank a lot. I am getting the clue for it. Thank all of you. On Jan 23, 2008 4:50 AM, Mark Abraham <[EMAIL PROTECTED]> wrote: > Nabajyoti Goswami wrote: > > Dear Gromacs Users, > > > > After a long time I am working with gromacs. Though at the starting I > > got some problem in installation with

Re: [gmx-users] Trajectory files are too big

2008-01-22 Thread Mark Abraham
Nabajyoti Goswami wrote: Dear Gromacs Users, After a long time I am working with gromacs. Though at the starting I got some problem in installation with the rpm, (a conflict error with mono-web) I installed it anyway forcefully. Problem is the trajectory files that I am getting are too big. I

Re: [gmx-users] Trajectory files are too big

2008-01-22 Thread Andreas Kukol
You can reduce the size of the trajectories after the simulation with trjconv -skip (or -dt). For a new simulation I refer to the previous suggestion. Andreas Nabajyoti Goswami wrote: Dear Gromacs Users, After a long time I am working with gromacs. Though at the starting I got some problem i

Re: [gmx-users] Trajectory files are too big

2008-01-21 Thread Bjoern Windshuegel
Hi, you can easily restrict the amount of data if you set the frequency of writing out coordinates accordingly. Check the manual page 138 (7.3.7, output control). The standard settings (100) are quite small, I recommend to use at least 1000 for writing out coordinates. So the amount of data sho

[gmx-users] Trajectory files are too big

2008-01-21 Thread Nabajyoti Goswami
Dear Gromacs Users, After a long time I am working with gromacs. Though at the starting I got some problem in installation with the rpm, (a conflict error with mono-web) I installed it anyway forcefully. Problem is the trajectory files that I am getting are too big. I have run a mdrun for 2ns on a