Vitaly Chaban wrote:
Hi,
Is there a possibility to control g_energy output via command line
without interactive selection? I have found nothing about this in the
help message.
We have a bunch of the alike systems, so we exactly know what numbers
correspond to the wanted energy terms. If there many alike systems it's very
inconvenient to process every ener.edr by hand...
echo " 7 9 0 " | g_energy
see wiki.
===============================
Vitaly V. Chaban, Ph.D.(ABD)
School of Chemistry
V.N. Karazin Kharkiv National University
Svoboda sq.,4, Kharkiv 61077, Ukraine
email: cha...@univer.kharkov.ua,vvcha...@gmail.com
skype: vvchaban, mob.: +38-097-8259698
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