Dear all,
I have two coordinate files of a system (for state A coord_A.gro and
state B coord_B.gro). I want to generate configurations (coordinates)
between these states A and B. How can I apply the pull code to generate
these configurations? Should I calculate a COM direction first? Can I
apply -r and -rb as reference position restrains in this case?
Thank you very much in advance!
All the best
Johannes
--
______________________________________
*Technische Universität München*
*Johannes Hermann, M.Sc.*
Lehrstuhl für Bioverfahrenstechnik
Boltzmannstr. 15
D-85748 Garching
Tel: +49 8928915730
Fax: +49 8928915714
Email: j.herm...@lrz.tum.de
http://www.biovt.mw.tum.de/
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