Dear users,
I would like to perform an umbrella sampling by pulling two metal ions (two
pull groups) away from protein (reference group) in opposite directions. I
could restrain the positions of protein atoms (reference group) and then
perform the pulling simulation. But how do I ensure that one ion will move
in +Z direction, while the other in -Z direction?
Any help/suggestion is most welcome.
Thanks and regards,
Saumyak
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================================
*Saumyak Mukherjee*
Junior Research Fellow
Prof. Biman Bagchi's Group
Solid State and Structural Chemistry Unit
Indian Institute of Science
Bangalore - 560012
Mob : 8017292426
Alternative e-mail : saumyakmukher...@gmail.com
smukher...@sscu.iisc.ernet.in
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