[gmx-users] problem with trjconv
OZENGIN at KU.EDU.TR
Wed Feb 28 15:37:12 CET 2007
I have a problem with the trjconv command.
I performed a 30 ns simulation, and wanted to analyze hydrogen bonds formed between protein and water molecules. In this respect, I converted the xtc file into a pdb file by selecting system option. As you can understand the overall file was such a large file that I could not handle it. So, I want to know whether there is any possibility to select water molecules within a cutoff value or to extract frames within given time steps? For instance, at every 70 th step, from 70 ps to 80 ps.
Thanks in advance
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