[gmx-users] Re: Any ways to read/convert .g96 file format and keep the precision? Or any way to give accurate coordinates?

Markus Kaukonen markus.kaukonen at iki.fi
Tue Jul 17 18:51:53 CEST 2012

>Convert the .g96 file to .trr format.  Double precision may be necessary and
>will certainly give the greatest possible accuracy.
I try
>trjconv -f gromacs.g96 -o test.trr
and get
>Program trjconv, VERSION 4.5.5
>Source code file: /build/buildd/gromacs-4.5.5/src/gmxlib/trxio.c, line: 693
>Fatal error:
>Reading trajectories in .g96 format is broken. Please use
>a different file format.
>For more information and tips for troubleshooting, please check the GROMACS
>website at http://www.gromacs.org/Documentation/Errors
Is there some other way to convert format (g96 -> trr)?
Or any other easy way to give accurate coordinates?
Or do I have a too old version of gromacs (4.5.5) ?

Terveisin, Markus

--Markus.Kaukonen at iki.fi
--office: Karjaan lukio
--home: Viinirinne 3 F 12, 02630 Espoo, FIN
--tel: h 045-1242068

More information about the gromacs.org_gmx-users mailing list