[gmx-users] rerun of trajectory!

Anton Feenstra feenstra at chem.vu.nl
Wed May 14 12:47:01 CEST 2003


Swetha Vijayakrishan wrote:
> 
> dear gromacs users,
> 
> i'm trying to simulate a protein solvated in water.I ran the simulation
> for 1ns.This was successfully done.Now i want to continue the MD for
> another 9ns with the trr file of the 1ns simulation.
> So i tried making a continuation input file using tpbconv.i.e
> 
> >tpbconv -s b4md_emsd_saksol.tpr -f traj.trr -n md_emsd_saksol.ndx -o
> traj_out.tpr
> 
> But the command does not seem to work. My .trr file does not seem to be
> getting recognized. i'm getting the following error after running the tpbconv
> command:

Is it larger than 2Gb?

-- 
Groetjes,

Anton
 _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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| \_/ \_/ | | | Room P275  Tel: +31 20 44 47608  Fax: +31 20 44 47610 |
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