[gmx-users] Converting Amber ASCII trajectory to Gromacs

Mengjuei Hsieh mjhsieh at yahoo.com
Fri Jun 13 21:48:01 CEST 2003


I was trying to use g_cluster to analyze my Amber trajectory. I renamed it
to *.g87 and g_cluster called trjconv automatically. But I found even if I
already specify it's a trajectory without box, it still asked me to enter
the box info (so far I just type in 0 0 0). Is it a kind of bug?

   Select File Format
1. XYZ File
2. XYZ File with Box
3. Gromos-87 Ascii Trajectory
4. Gromos-87 Ascii Trajectory with Box

Choice: 3


Number of atoms ? 388
Time between timeframes ? 1
Box X Y Z ? 0 0 0

Last frame      15919 time 7959.000

Mengjuei Hsieh

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