[gmx-users] grompp question

[David van der Spoel]

On Fri, 10 May 2002, Y. U. Sasidhar wrote:

>We would like to run several 1 ns runs. For each run we would like to
>use the postions and velocities of the previous run ( gen_vel=no). To
>prepare tpr file for the run should we use grompp -t
>after_md_run_previous.trr or tpbconv program ?

you can quite easy use tpbconv:

tpbconv -s topol -f traj.trr -o continue -extend 1000

this will avoid the need to edit mdp files.

Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel
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