[gmx-users] Gromacs and DNA ???

Marc Baaden baaden at smplinux.de
Wed Feb 12 12:23:22 CET 2003


spoel at xray.bmc.uu.se said:
>> I can give you answer at least. If you have an ascii amber trajectory,
>> rename it to .g87 and all gromacs tools can read it. 

That seems to work .. with the slight hitch that gmx believes the data
is in nanometers, whereas amber writes out in Angstrom. Wasn't there an
option in some gromacs tool to divide values by 10 ? I couldn't find it
in trjconv or so .. if not it can surely be programmed easily .. but I
thought I had seen it somewhere ?

Has anybody looked into analysis of DNA helical axes, etc ? (maybe with
g_bundle?) I would appreciate a sample input/working example.


 Dr. Marc Baaden  - Institut de Biologie Physico-Chimique, Paris
 mailto:baaden at smplinux.de      -      http://www.marc-baaden.de
 FAX: +49 697912 39550  -  Tel: +33 15841 5176 ou +33 609 843217

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