You can use trjconv to extract a frame from the trajectory, e.g. trjconv �Cf xxx.trr �Co xxx.gro �Cb ttt �Ce ttt
________________________________ From: gmx-users-boun...@gromacs.org [mailto:gmx-users-boun...@gromacs.org] On Behalf Of wuxiao Sent: Wednesday, May 06, 2009 8:42 AM To: gmx-users@gromacs.org Subject: [gmx-users] Can we abstract any frame from the trajectory file(trr) and save it as a gro file? Dear gmx users, I have performed NPT MD simulations and achieved a trr file. Now I want to start another NVT MD simulations using some frame as the initial configuration. But I was puzzled by how to abstract any frame from the trajectory file and to save it as a gro file. Please give me some hints. Thank you very much! best regards, xiaowu ________________________________ 立即试试微软地图新功能，msn互动浏览！ 立刻体验！<http://ditu.live.com/?form=CR> ________________________________ This email is confidential and may be privileged. If you are not the intended recipient, please delete it and notify us immediately. Please do not copy or use it for any purpose, or disclose its contents to any other person. Thank you.
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