[gmx-users] trjconv_snapshot

Hi Gromacs users, I have a problem getting a snapshots using trjconv. If you could help me, I would be very grateful. Below, I try to explain what I did and problem happened. Firstly, I have done 10ns long simulation (several peptides in a box). And then, using the outputs of that simulation

Re: [gmx-users] trjconv_snapshot

On Thu, May 24, 2012 at 5:24 PM, Turgay Cakmak turgaycakma...@gmail.comwrote: Hi Gromacs users, I have a problem getting a snapshots using trjconv. If you could help me, I would be very grateful. Below, I try to explain what I did and problem happened. Firstly, I have done 10ns long

[gmx-users] trjconv_snapshot

Hi Rama, Thanks for your quick reply. Catenate two trajectory with help of trjcat -h to get snapshot of particular time use trjconv -dump time use appropriate pbc option I have also used trjconv with -dump and -pbc nojump options, but still I have same problem. you are using -b 1 -e 1

Re: [gmx-users] trjconv_snapshot

Hi , You run extended simulation of 10 ns on your first 10ns simulation . You get traj20ns.xtc. these new trajectory contain all the tme frame from onwards 10ns. So if you are giving command trjconv –f traj20ns.xtc –s topol.tpr –b 1 –e 1 –o snapshot20ns.gro (Note: traj20ns.xtc is

Re: [gmx-users] trjconv_snapshot

On 5/24/12 10:17 AM, rama david wrote: Hi , You run extended simulation of 10 ns on your first 10ns simulation . You get traj20ns.xtc. these new trajectory contain all the tme frame from onwards 10ns. So if you are giving command trjconv –f traj20ns.xtc –s topol.tpr –b 1 –e 1 –o