Re: [gmx-users] How to extract frames from a simulation at regular intervals and make a new trajectory?

2019-05-11 Thread Justin Lemkul
On 5/11/19 6:36 AM, Prasanth G, Research Scholar wrote: I am interested in extracting 300 snapshots from a 30ns simulation with an interval of 100 ps and create a new trajectory for analysis (MMPBSA). files md_0_30.xtc, md_0_30.tpr.. new trajectory to be named as md_analysis.xtc. Use gmx

[gmx-users] How to extract frames from a simulation at regular intervals and make a new trajectory?

2019-05-11 Thread Prasanth G, Research Scholar
I am interested in extracting 300 snapshots from a 30ns simulation with an interval of 100 ps and create a new trajectory for analysis (MMPBSA). files md_0_30.xtc, md_0_30.tpr.. new trajectory to be named as md_analysis.xtc. Request you to help me in this regard. Thank you. -- Regards,