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 [email protected]
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 [EMAIL PROTECTED]
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
[EMAIL PROTECTED]
_______________________________________________
gmx-users mailing list [email protected]
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 [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
