[gmx-users] automatic selections with interactive gmx commands

Ghermes Chilov Ghermes at belozersky.msu.ru
Mon May 31 13:19:16 CEST 2004

gs>    I would like to pass selections (eg. temperature or total energy in
gs> g_energy) in an automatic way, without waiting for the prompt and 
gs> inserting it by hand.
gs> How can I do?


g_energy ... < text_file

would work, where text_file contains numbers (of groups) You'd like to
extrat. This is especially helpful when you have a lot of groups and a
lot of information to extract.

Ghermes Chilov
Moscow State University

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