[gmx-users] Pull Code

[Johannes Hermann]

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.hermann at lrz.tum.de
http://www.biovt.mw.tum.de/