[gmx-users] Extension of simulations

[Mark Abraham]

Hi,

The .tpr is an input file for simulations and analyses, not an output of
the simulation that you might want to concatenate over parts.

Mark

On Tue, Jun 28, 2016 at 11:28 AM Seera Suryanarayana <palusoori at gmail.com>
wrote:

> Dear users,
>
> I have extended my simulations from 20ns to 40ns and I concatenated the
> .xtc files by using trjcat. I would like to use the concatenated file for
> further analysis such as rmsd and radius of gyration. We need to have two
> input files for rmsd analysis. one is .xtc(trajectory file) and other one
> is .tpr file. But we cannot concatenae the .tpr files by trjcat command.
> How do I get the extended .tpr file (previous tpr file and extended tpr
> file). What should I do?
>
> Thanks in advance
> Surya
> Graduate student
> India.
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