[gmx-users] tpbconv functionality
tsjerkw at gmail.com
Mon Jun 30 09:08:13 CEST 2008
Not with tpbconv. You can do it with grompp, adding the .trr end .edr
file you have as input and making sure that you don't generate new
velocities and set unconstrained_start to yes.
On Sun, Jun 29, 2008 at 10:18 PM, Cesar Avila <cavila at fbqf.unt.edu.ar> wrote:
> I found the tpbconv tool very usefull for generating tpr files for
> resuming the simulations. Nevertheless I couldn't find an option to
> set/change the number of processors to use as the -np option in grompp. Is
> there a way to do this?
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Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
3584 CH Utrecht
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