[gmx-users] ngmx crash

David van der Spoel spoel at xray.bmc.uu.se
Thu May 8 08:20:54 CEST 2008


jayant james wrote:
> Hi!
> I am trying to get the intermediate structures from a 2ns simulation and 
> I use ngmx for the same. I am able to open the visualizer using the command
> ngmx -f trj.trr -s pr.tpr
> But when I try to get the coordinate file (say 50ps) I get an error as 
> given below. How am I to overcome this problem ? I am using the latest 
> version og GMX!

What name did you type in?
Either
foo.pdb
or
bar.gro
should work (with extension that is).

> thanks
> Jayant
> 
> 
> -------------------------------------------------------
> Program ngmx, VERSION 3.3.3
> Source code file: confio.c, line: 1130
> 
> Software inconsistency error:
> Not supported in write_sto_conf
> -------------------------------------------------------
> 
> 
> 
> 
> -- 
> Jayasundar Jayant James
> 
> www.chick.com/reading/tracts/0096/0096_01.asp 
> <http://www.chick.com/reading/tracts/0096/0096_01.asp>)
> Residence -24935864, cell-9841042164
> 
> 
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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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