[gmx-users] ndx file with frames

Stefano Guglielmo stefano.guglielmo at unito.it
Mon Jul 30 15:29:15 CEST 2018


Dear all,

I would like to generate an index file containing frame numbers selected
according to a parameter contained in plumed output; I could select the
desired frames from the output using any scripting/text manipulating tool,
but I was wondering which should be the suitable format to be read by,
let's say, trjconv.
Does anyone have any suggestions?

Thanks in advance
Stefano

-- 
Stefano GUGLIELMO PhD
Assistant 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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