[gmx-users] atoms over 100,000
mailmd2011 at gmail.com
Thu Oct 9 17:20:50 CEST 2014
thx a lot for the reply.
But if I would like to define atom 100'001, should I just specify
100'001 directly and Gromacs will treat it without any problem?
On 10/09/2014 04:45 PM, Erik Marklund wrote:
> Atom indices in gro files aren't actually used by the gromacs tools. Hence going over 100,000 is not a problem.
> Kind regards,
> Erik Marklund, PhD
> Postdoctoral Research Fellow, JRF
> Department of Chemistry
> Physical & Theoretical Chemistry Laboratory
> University of Oxford
> South Parks Road
> OX1 3QZ
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