From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Fri Dec 18 2020 - 10:35:30 CST
Hello Stefano, yes. The simplest would be to just include in each file
only coordinates for the atoms that were selected, in the same order as the
selection. For precision, XYZ files are recommended:
https://colvars.github.io/colvars-refman-namd/colvars-refman-namd.html#sec:colvars_xyz_format
On Fri, Dec 18, 2020 at 9:50 AM Stefano Guglielmo <
stefano.guglielmo_at_unito.it> wrote:
> Dear all,
> is it possible to use as refPositionsFileN N files containing only a part
> of the system, let's say the protein without water and ions?
>
> Thanks
> Stefano
>
> --
> Stefano GUGLIELMO PhD
> Associate Professor of Medicinal Chemistry
> Department of Drug Science and Technology
> Via P. Giuria 9
> 10125 Turin, ITALY
> ph. +39 (0)11 6707178
>
>
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