Dear gmx-users, I want to study the behavior of a certain water molecule near the active site. I can convert .xtc file into pdb file, but the file becomes too large when I include all the water molecule in it. Maybe I can incooperate only a small portion of water molecule. But is there anyother way to extract coordinate from the .xtc file directly?
This is the procedure what I want to do: 1. extract coordinates of a frame. 2. analyze it. (Find a water molecule of interest and ...) 3. extract coordinates of the next step. 4. goto 2. until finish -- -------------------------------------------------- 'God used beautiful mathematics in creating the world.' -Paul Dirac 'But he created too many objects.' -Seungpyo Hong Seungpyo Hong Master student at PBIL(Protein BioInformatics Lab.) in KAIST, Daejeon Korea Tel. (82)-18-372-2468 [EMAIL PROTECTED] [EMAIL PROTECTED]
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