[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 |
|( | )| | | De Boelelaan 1083 - 1081 HV Amsterdam - Netherlands |
| \_/ \_/ | | | Room P275 Tel: +31 20 44 47608 Fax: +31 20 44 47610 |
| | Feenstra at chem.vu.nl - www.chem.vu.nl/~feenstra/ |
| | "Fly to the Court of England and Unfold" (Macbeth, Act|
| | 3, Scene 6, William Shakespeare) |
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