[gmx-users] ngmx crash

[Daniel Larsson]

On May 8, 2008, at 2:09, 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!
> thanks
> Jayant

Try with:

trjconv -f trj.trr -s pr.tpr -o dump_50ps.pdb -dump 50

For all the options, refer to "trjconv -h" or the manual.

>
>
>
> -------------------------------------------------------
> 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)
> Residence -24935864, cell-9841042164
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/search before  
> posting!
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php

---

Daniel Larsson
Molecular Biophysics group
Department of Cell and Molecular Biology
Uppsala University

+46-18-471 4006 (phone)
+46-18-511 755  (fax)
http://xray.bmc.uu.se/~larsson
larsson at xray.bmc.uu.se