Liu, Liang wrote:
I am wondering if there is a flag to make the command select SOL
automatically instead of pressing some number each time? I have
thousands of structures, it is really time-consuming to select one by one.
Yes, there is:
http://www.gromacs.org/Documentation/How-tos/Using_Commands_in_Scripts
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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