[gmx-users] editing velocities in tprs

[Berk Hess]

>From: "Alex Robertson" <alexrson at stanford.edu>
>Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>To: "Discussion list for GROMACS users" <gmx-users at gromacs.org>
>Subject: Re: [gmx-users] editing velocities in tprs
>Date: Wed, 6 Jul 2005 09:08:17 -0700
>
>how do you grompp velocities?  Would I put have to extract them into a gro 
>and then grompp that?
>
>I don't think that which time step I take the velocities from matters 
>because it's only a femtosecond difference and I'm not trying to test 
>reversibility.

OK.

Maybe my mail was bit unclear.
I meant editing the grompp code (src/kernel/grompp.c)

Another option would be to let editconf write a g96 file
from your tpr file and write a script to invert the velocities
in theg96 file (I am not sure if g96 is completely fixed format).

Berk.