[gmx-users] problem with grompp (that is used instead of tpbconv)

David van der Spoel spoel at xray.bmc.uu.se
Sat Mar 22 08:32:13 CET 2008


OZGE ENGIN wrote:
> Hi David, 
> 
> I did what you suggested but encountered with a problem similar to one encountered by tpbconv command. 
> 
> I got the following error:
> 
> Reading frame   40000 time 8000.000
> WARNING: Incomplete frame: nr 40397 time 8079.4
> -------------------------------------------------------
> Program grompp, VERSION 3.3.1
> Source code file: grompp.c, line: 542
> 
> Fatal error:
> Can not start from an incomplete frame
> Ozge Engin
> =================================


your trr file is corrupt. use the -time flag as well.
remember the the -h flag is your friend.

> Computational Science & Engineering
> Koc University
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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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