[gmx-users] solvent insertion analysis

David van der Spoel spoel at xray.bmc.uu.se
Wed Apr 30 14:28:17 CEST 2008

cfgauna at lab.cricyt.edu.ar wrote:
> Hi all:
> I´m using gromacs version 3.3.2 and a box type truncated octahedron.
> I need to analyze hydrogen bonds with solvent (water)insertion but -ins
> option of g_hbond is broken... What should I do?
> I´ve allready tried to analyze my trayectory file (maked with 3.3.2) with
> gromacs version 3.1.4 but this was the result:
> Fatal error: reading tpx file (din1out.tpr) version 40 with version 24
> programit didn´t work...
> Please send me any suggention!

you need to make a tpr file with 3.1.4 as well, just for the analysis.
> Cecilia
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David van der Spoel, Ph.D.
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se

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