[gmx-users] automatic selections with interactive gmx commands

[Ghermes Chilov]

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?

also

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