[gmx-users] rerun of trajectory!

[David van der Spoel]

On Thu, 2003-05-15 at 00:59, 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
\> READING COORDS, VELS AND BOX FROM TRAJECTORY traj.trr...
> 
> Fatal error: File traj.trr not found

It's probably more than 2Gb

Check the archive for solutions...

>
-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell & Mol. Biology
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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