Re: [gmx-users] Snapshot and co-ordinate query

2013-06-06 Thread Ankita naithani
Hi Justin, Thank you so much for the clarification. Kind regards, Ankita On Wed, Jun 5, 2013 at 11:28 PM, Justin Lemkul jalem...@vt.edu wrote: On 6/5/13 3:03 PM, Ankita naithani wrote: Hi, I have two questions. I have performed a simulation on my protein structure and after the

[gmx-users] Snapshot and co-ordinate query

2013-06-05 Thread Ankita naithani
Hi, I have two questions. I have performed a simulation on my protein structure and after the simulation, I used trjconv to obtain snapshots after every 10 ns with the following command: trjconv -f md.xtc -s md.tpr -b 1 -e 10001 -o md_10.pdb and chose 0 (system) for the group. However,

Re: [gmx-users] Snapshot and co-ordinate query

2013-06-05 Thread Justin Lemkul
On 6/5/13 3:03 PM, Ankita naithani wrote: Hi, I have two questions. I have performed a simulation on my protein structure and after the simulation, I used trjconv to obtain snapshots after every 10 ns with the following command: trjconv -f md.xtc -s md.tpr -b 1 -e 10001 -o md_10.pdb